4-(2,3-diaminopropanoylamino)butanoic acid

C7H15N3O3 — CID 123677811

IUPAC4-(2,3-diaminopropanoylamino)butanoic acid
SMILESNCC(N)C(=O)NCCCC(=O)O
InChIInChI=1S/C7H15N3O3/c8-4-5(9)7(13)10-3-1-2-6(11)12/h5H,1-4,8-9H2,(H,10,13)(H,11,12)
InChIKeyHZPSIPLBHAOYKZ-UHFFFAOYSA-N
MW189.21 g/mol
LogP-1.75
Rot. Bonds6

About 4-(2,3-diaminopropanoylamino)butanoic acid

4-(2,3-diaminopropanoylamino)butanoic acid (PubChem CID 123677811) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 4-(2,3-diaminopropanoylamino)butanoic acid.

Molecular Properties

Compound Name4-(2,3-diaminopropanoylamino)butanoic acid
PubChem CID123677811
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name4-(2,3-diaminopropanoylamino)butanoic acid
SMILESNCC(N)C(=O)NCCCC(=O)O
InChIInChI=1S/C7H15N3O3/c8-4-5(9)7(13)10-3-1-2-6(11)12/h5H,1-4,8-9H2,(H,10,13)(H,11,12)
InChIKeyHZPSIPLBHAOYKZ-UHFFFAOYSA-N
XLogP-1.75
TPSA118.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.75
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-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]butanoic acid
CID 175962096
4-(2-aminohexanoylamino)butanoic acid
CID 61157473
4-[[2-(aminomethyl)-4,4-dimethylpentanoyl]amino]butanoic acid
CID 107471722
4-[[2-(aminomethyl)-3-methylbutanoyl]amino]butanoic acid
CID 65227720
4-amino-5-[(4-amino-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64890076
4-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]butanoic acid
CID 104907974
2,3-diamino-N-octadecylpropanamide
CID 158457421
14-[[2-amino-3-[[2-amino-3-(13-carboxytridecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]tetradecanoic acid
CID 129089504
12-[[2-amino-3-[[2-amino-3-(11-carboxyundecylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]dodecanoic acid
CID 89495848
8-[[2-amino-3-[[2-amino-3-(7-carboxyheptylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]octanoic acid
CID 89495837
16-[(2-amino-3-sulfanylpropanoyl)amino]hexadecanoic acid
CID 53362588
7-[[(2R)-2-aminopentanoyl]amino]heptanoic acid
CID 103869350

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diaminopropanoylamino)butanoic acid?
The IUPAC name of 4-(2,3-diaminopropanoylamino)butanoic acid (CID 123677811) is 4-(2,3-diaminopropanoylamino)butanoic acid.
What is the SMILES notation for 4-(2,3-diaminopropanoylamino)butanoic acid?
The canonical SMILES for 4-(2,3-diaminopropanoylamino)butanoic acid is NCC(N)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-(2,3-diaminopropanoylamino)butanoic acid?
The InChIKey is HZPSIPLBHAOYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3/c8-4-5(9)7(13)10-3-1-2-6(11)12/h5H,1-4,8-9H2,(H,10,13)(H,11,12).
What are the key properties of 4-(2,3-diaminopropanoylamino)butanoic acid?
4-(2,3-diaminopropanoylamino)butanoic acid has a molecular weight of 189.21 g/mol, XLogP of -1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-diaminopropanoylamino)butanoic acid is sourced from PubChem (CID 123677811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).