2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide

C10H20N6O4 — CID 142971518

IUPAC2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide
SMILESCCC(N)C(=O)NNC(=O)NC(C)C(=O)NCC(N)=O
InChIInChI=1S/C10H20N6O4/c1-3-6(11)9(19)15-16-10(20)14-5(2)8(18)13-4-7(12)17/h5-6H,3-4,11H2,1-2H3,(H2,12,17)(H,13,18)(H,15,19)(H2,14,16,20)
InChIKeyWGORVLRQCWRQPM-UHFFFAOYSA-N
MW288.31 g/mol
LogP-2.96
Rot. Bonds6

About 2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide

2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide (PubChem CID 142971518) has the molecular formula C10H20N6O4 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide.

Molecular Properties

Compound Name2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide
PubChem CID142971518
Molecular FormulaC10H20N6O4
Molecular Weight288.31 g/mol
Exact Mass288.15
IUPAC Name2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide
SMILESCCC(N)C(=O)NNC(=O)NC(C)C(=O)NCC(N)=O
InChIInChI=1S/C10H20N6O4/c1-3-6(11)9(19)15-16-10(20)14-5(2)8(18)13-4-7(12)17/h5-6H,3-4,11H2,1-2H3,(H2,12,17)(H,13,18)(H,15,19)(H2,14,16,20)
InChIKeyWGORVLRQCWRQPM-UHFFFAOYSA-N
XLogP-2.96
TPSA168.44 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.31
LogP ≤ 5-2.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid
CID 25264078
2-amino-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 43649575
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
tert-butyl N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]carbamate
CID 131026996
(2S)-2-acetamido-N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 11130860
(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
CID 71358548
(2R)-2-amino-N-(2-bromoprop-2-enyl)butanamide
CID 104861241
2-amino-N-(3-amino-3-oxopropyl)butanamide
CID 43649631
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
CID 88648065

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide?
The IUPAC name of 2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide (CID 142971518) is 2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide.
What is the SMILES notation for 2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide?
The canonical SMILES for 2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide is CCC(N)C(=O)NNC(=O)NC(C)C(=O)NCC(N)=O.
What is the InChIKey of 2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide?
The InChIKey is WGORVLRQCWRQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O4/c1-3-6(11)9(19)15-16-10(20)14-5(2)8(18)13-4-7(12)17/h5-6H,3-4,11H2,1-2H3,(H2,12,17)(H,13,18)(H,15,19)(H2,14,16,20).
What are the key properties of 2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide?
2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide has a molecular weight of 288.31 g/mol, XLogP of -2.96, 6 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminobutanoylamino)carbamoylamino]-N-(2-amino-2-oxoethyl)propanamide is sourced from PubChem (CID 142971518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).