4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid

C10H19N3O4 — CID 167519008

IUPAC4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
SMILESCCCC(NC(=O)C(N)CCC(=O)O)C(N)=O
InChIInChI=1S/C10H19N3O4/c1-2-3-7(9(12)16)13-10(17)6(11)4-5-8(14)15/h6-7H,2-5,11H2,1H3,(H2,12,16)(H,13,17)(H,14,15)
InChIKeyZBSYJHQIHCASTN-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.05
Rot. Bonds8

About 4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid

4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 167519008) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
PubChem CID167519008
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid
SMILESCCCC(NC(=O)C(N)CCC(=O)O)C(N)=O
InChIInChI=1S/C10H19N3O4/c1-2-3-7(9(12)16)13-10(17)6(11)4-5-8(14)15/h6-7H,2-5,11H2,1H3,(H2,12,16)(H,13,17)(H,14,15)
InChIKeyZBSYJHQIHCASTN-UHFFFAOYSA-N
XLogP-1.05
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-amino-5-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
CID 11000252
2-[[(2S)-2-aminohexanoyl]amino]pentanedioic acid
CID 107144810
(4S)-4-amino-5-[[(1S)-2-amino-1-carboxyethyl]amino]-5-oxopentanoic acid
CID 138674221
(2S)-5-amino-2-[[(2R)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 103870468
(2R)-5-amino-2-[[(2S)-2-aminopentanoyl]amino]-5-oxopentanoic acid
CID 107830315
(2S)-2-[(2-amino-4-carboxybutanoyl)amino]-4-methylpentanoic acid
CID 79001418
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-amino-1-oxoheptan-2-yl]amino]-1-oxoheptan-2-yl]heptanamide
CID 59033718
(2S)-2-[[(2S)-2-[[(2S)-2-aminohexanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 175745494
(2S)-2-[[(2S)-5-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 67053722
(4S)-4-amino-5-[[(1R)-1-carboxy-2-methylselanylethyl]amino]-5-oxopentanoic acid
CID 87361496
2-[[4-amino-2-[[4-amino-2-[(2-amino-4-carboxybutanoyl)amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
CID 18263297
4-amino-5-[[5-amino-1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 18220251

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid (CID 167519008) is 4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid is CCCC(NC(=O)C(N)CCC(=O)O)C(N)=O.
What is the InChIKey of 4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is ZBSYJHQIHCASTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-2-3-7(9(12)16)13-10(17)6(11)4-5-8(14)15/h6-7H,2-5,11H2,1H3,(H2,12,16)(H,13,17)(H,14,15).
What are the key properties of 4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid?
4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 245.28 g/mol, XLogP of -1.05, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(1-amino-1-oxopentan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 167519008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).