4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid

C9H17N3O4 — CID 64890076

IUPAC4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CCCNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H17N3O4/c10-6(3-4-8(14)15)9(16)12-5-1-2-7(11)13/h6H,1-5,10H2,(H2,11,13)(H,12,16)(H,14,15)
InChIKeyQGSIKJDEYYURFT-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.44
Rot. Bonds8

About 4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid

4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid (PubChem CID 64890076) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
PubChem CID64890076
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CCCNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C9H17N3O4/c10-6(3-4-8(14)15)9(16)12-5-1-2-7(11)13/h6H,1-5,10H2,(H2,11,13)(H,12,16)(H,14,15)
InChIKeyQGSIKJDEYYURFT-UHFFFAOYSA-N
XLogP-1.44
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
CID 107842457
(2S)-2-amino-6-[(2,5-diamino-5-oxopentanoyl)amino]hexanoic acid
CID 174585198
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
(2S)-2-amino-N-(5-amino-5-oxopentyl)pentanamide
CID 106235890
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
4-(2,3-diaminopropanoylamino)butanoic acid
CID 123677811
4-amino-5-[4-[methyl(propan-2-yl)amino]butylamino]-5-oxopentanoic acid
CID 64888379
4-amino-5-oxo-5-(2-oxopropylamino)pentanoic acid
CID 123673519
4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid
CID 175962096
6-[[(2R)-2-aminopentanoyl]amino]hexanoic acid
CID 103868717
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350
18-[(2-amino-4-sulfanylbutanoyl)amino]octadecanoic acid
CID 89495873

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid?
The IUPAC name of 4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid (CID 64890076) is 4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid is NC(=O)CCCNC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid?
The InChIKey is QGSIKJDEYYURFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c10-6(3-4-8(14)15)9(16)12-5-1-2-7(11)13/h6H,1-5,10H2,(H2,11,13)(H,12,16)(H,14,15).
What are the key properties of 4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid?
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid has a molecular weight of 231.25 g/mol, XLogP of -1.44, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 64890076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).