2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide

C31H46N6O12 — CID 59828267

IUPAC2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide
SMILESCC(=O)CC(N)C(=O)NC(CC(=O)NC(CC(C)=O)C(=O)NC(CC(=O)NC(CC(=O)NC(CC(C)=O)C(C)=O)C(C)=O)C(C)=O)C(C)=O
InChIInChI=1S/C31H46N6O12/c1-14(38)8-21(32)30(48)36-24(19(6)43)12-29(47)35-26(10-16(3)40)31(49)37-25(20(7)44)13-28(46)34-23(18(5)42)11-27(45)33-22(17(4)41)9-15(2)39/h21-26H,8-13,32H2,1-7H3,(H,33,45)(H,34,46)(H,35,47)(H,36,48)(H,37,49)
InChIKeyAOASFKOVAKYNSN-UHFFFAOYSA-N
MW694.74 g/mol
LogP-2.80
Rot. Bonds23

About 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide

2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide (PubChem CID 59828267) has the molecular formula C31H46N6O12 and a molecular weight of 694.74 g/mol. Its IUPAC name is 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide.

Molecular Properties

Compound Name2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide
PubChem CID59828267
Molecular FormulaC31H46N6O12
Molecular Weight694.74 g/mol
Exact Mass694.32
IUPAC Name2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide
SMILESCC(=O)CC(N)C(=O)NC(CC(=O)NC(CC(C)=O)C(=O)NC(CC(=O)NC(CC(=O)NC(CC(C)=O)C(C)=O)C(C)=O)C(C)=O)C(C)=O
InChIInChI=1S/C31H46N6O12/c1-14(38)8-21(32)30(48)36-24(19(6)43)12-29(47)35-26(10-16(3)40)31(49)37-25(20(7)44)13-28(46)34-23(18(5)42)11-27(45)33-22(17(4)41)9-15(2)39/h21-26H,8-13,32H2,1-7H3,(H,33,45)(H,34,46)(H,35,47)(H,36,48)(H,37,49)
InChIKeyAOASFKOVAKYNSN-UHFFFAOYSA-N
XLogP-2.80
TPSA291.01 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds23
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500694.74
LogP ≤ 5-2.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Analyze 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-[[3-[(2-amino-3-carboxypropanoyl)amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-oxopentanoic acid
CID 59864038
2-[[2-[[2-amino-4-[(1-carboxy-2-sulfoethyl)amino]-4-oxobutanoyl]amino]-4-[(1-carboxy-2-sulfoethyl)amino]-4-oxobutanoyl]amino]-4-[(1-carboxy-2-sulfoethyl)amino]-4-oxobutanoic acid
CID 140912125
2-amino-3-hydroxy-N-(1-hydroxy-3-oxobutan-2-yl)propanamide
CID 138527125
4-[(2-amino-5-oxohexanoyl)amino]-N-(2,6-dioxoheptan-3-yl)-6-oxoheptanamide
CID 170391351
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
CID 175785788
diethyl (2S)-2-[[(3S)-3-amino-4-[[(2S)-1,4-diethoxy-1,4-dioxobutan-2-yl]amino]-4-oxobutanoyl]amino]butanedioate
CID 101451173
(2S)-2-[[(3S)-3-acetamido-4-[[(1S)-1,2-dicarboxyethyl]amino]-4-oxobutanoyl]amino]butanedioic acid
CID 101180050
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(tert-butylamino)-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-4-oxopentanoic acid
CID 155043357
3-amino-4-[[3-carboxy-1-[[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 134555905
3-(propan-2-ylamino)hexane-2,5-dione
CID 178008293
[[3-amino-4-[[1-[[1,4-dioxo-1,4-bis(sulfomethylamino)butan-2-yl]amino]-1,4-dioxo-4-(sulfomethylamino)butan-2-yl]amino]-4-oxobutanoyl]amino]methanesulfonic acid
CID 140912128
(2R,5S)-5-amino-N-[(15S)-15-[[(2S)-2-amino-4-oxopentanoyl]amino]-14,17-dioxooctadecyl]-4,7-dioxo-2-(2-oxopropyl)octanamide
CID 157433511

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide?
The IUPAC name of 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide (CID 59828267) is 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide.
What is the SMILES notation for 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide?
The canonical SMILES for 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide is CC(=O)CC(N)C(=O)NC(CC(=O)NC(CC(C)=O)C(=O)NC(CC(=O)NC(CC(=O)NC(CC(C)=O)C(C)=O)C(C)=O)C(C)=O)C(C)=O.
What is the InChIKey of 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide?
The InChIKey is AOASFKOVAKYNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N6O12/c1-14(38)8-21(32)30(48)36-24(19(6)43)12-29(47)35-26(10-16(3)40)31(49)37-25(20(7)44)13-28(46)34-23(18(5)42)11-27(45)33-22(17(4)41)9-15(2)39/h21-26H,8-13,32H2,1-7H3,(H,33,45)(H,34,46)(H,35,47)(H,36,48)(H,37,49).
What are the key properties of 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide?
2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide has a molecular weight of 694.74 g/mol, XLogP of -2.80, 23 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[[1-[[1-[[1-(2,5-dioxohexan-3-ylamino)-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-3-yl]amino]-1,4-dioxopentan-2-yl]amino]-1,4-dioxopentan-3-yl]-4-oxopentanamide is sourced from PubChem (CID 59828267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).