2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide

C11H21N5O4 — CID 143230399

IUPAC2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide
SMILESCNC(=O)C(C)NC(=O)CNC(=O)C(N)CCC(N)=O
InChIInChI=1S/C11H21N5O4/c1-6(10(19)14-2)16-9(18)5-15-11(20)7(12)3-4-8(13)17/h6-7H,3-5,12H2,1-2H3,(H2,13,17)(H,14,19)(H,15,20)(H,16,18)
InChIKeyYCZXQQFACVAKHJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP-3.05
Rot. Bonds8

About 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide

2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide (PubChem CID 143230399) has the molecular formula C11H21N5O4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide.

Molecular Properties

Compound Name2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide
PubChem CID143230399
Molecular FormulaC11H21N5O4
Molecular Weight287.32 g/mol
Exact Mass287.16
IUPAC Name2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide
SMILESCNC(=O)C(C)NC(=O)CNC(=O)C(N)CCC(N)=O
InChIInChI=1S/C11H21N5O4/c1-6(10(19)14-2)16-9(18)5-15-11(20)7(12)3-4-8(13)17/h6-7H,3-5,12H2,1-2H3,(H2,13,17)(H,14,19)(H,15,20)(H,16,18)
InChIKeyYCZXQQFACVAKHJ-UHFFFAOYSA-N
XLogP-3.05
TPSA156.41 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-3.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide with MolForge

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Related Compounds

(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
CID 25062155
4-amino-5-[[2-[[1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18265240
(2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide
CID 24887233
(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 175935113
(2S)-5-amino-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 145455067
2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid
CID 25264078
2-[[2-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]acetyl]amino]-3-methylpentanoic acid
CID 22700718
2-amino-N-[2-[[2-[[1-[[4-amino-1-[[1-[(1-amino-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]pentanediamide
CID 14369426
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
CID 18479868
4-amino-2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 18479761
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
CID 18235107
3-amino-4-[[5-amino-1-[[2-(1-carboxyethylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18249039

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide?
The IUPAC name of 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide (CID 143230399) is 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide.
What is the SMILES notation for 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide?
The canonical SMILES for 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide is CNC(=O)C(C)NC(=O)CNC(=O)C(N)CCC(N)=O.
What is the InChIKey of 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide?
The InChIKey is YCZXQQFACVAKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O4/c1-6(10(19)14-2)16-9(18)5-15-11(20)7(12)3-4-8(13)17/h6-7H,3-5,12H2,1-2H3,(H2,13,17)(H,14,19)(H,15,20)(H,16,18).
What are the key properties of 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide?
2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide has a molecular weight of 287.32 g/mol, XLogP of -3.05, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide is sourced from PubChem (CID 143230399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).