2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid

C10H20N2O3 — CID 43467320

IUPAC2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCCCCNC(=O)C(C)NC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-5-6-11-9(13)7(2)12-8(3)10(14)15/h7-8,12H,4-6H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyOGKXTLJIHFFWEV-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.35
Rot. Bonds7

About 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid

2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid (PubChem CID 43467320) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
PubChem CID43467320
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCCCCNC(=O)C(C)NC(C)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-4-5-6-11-9(13)7(2)12-8(3)10(14)15/h7-8,12H,4-6H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyOGKXTLJIHFFWEV-UHFFFAOYSA-N
XLogP0.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(butylamino)-1-oxopropan-2-yl]amino]-N-ethylpropanamide
CID 60722434
(2R)-2-[[(2S)-1-(butylamino)-1-oxopropan-2-yl]amino]pentanoic acid
CID 129365438
N-butyl-2-(heptan-2-ylamino)propanamide
CID 54950626
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
(2S)-2-amino-N-butyl(113C)propanamide
CID 157365112
(2S)-2-amino-N-butylpropan(15N)amide
CID 158456310
N-butyl-2-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]propanamide
CID 106160696
2-methyl-6-[[1-oxo-1-(pentylamino)propan-2-yl]amino]heptanoic acid
CID 65289301
(2S)-2-[[(1S)-1-carboxyethyl]amino]propanoic acid
CID 10953819
N-butyl-2-[(1-hydroxy-4-methoxybutan-2-yl)amino]propanamide
CID 114210564
2-(octan-2-ylamino)-N-pentylpropanamide
CID 61476673
N-butyl-2-silylpropanamide
CID 123860399

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The IUPAC name of 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid (CID 43467320) is 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid.
What is the SMILES notation for 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The canonical SMILES for 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid is CCCCNC(=O)C(C)NC(C)C(=O)O.
What is the InChIKey of 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The InChIKey is OGKXTLJIHFFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-4-5-6-11-9(13)7(2)12-8(3)10(14)15/h7-8,12H,4-6H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid?
2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid has a molecular weight of 216.28 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(butylamino)-1-oxopropan-2-yl]amino]propanoic acid is sourced from PubChem (CID 43467320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).