3-[3-oxobutan-2-yl(propyl)amino]propanoic acid

C10H19NO3 — CID 82329288

IUPAC3-[3-oxobutan-2-yl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(C)C(C)=O
InChIInChI=1S/C10H19NO3/c1-4-6-11(7-5-10(13)14)8(2)9(3)12/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyKEBOMEIYCYYCBR-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.15
Rot. Bonds7

About 3-[3-oxobutan-2-yl(propyl)amino]propanoic acid

3-[3-oxobutan-2-yl(propyl)amino]propanoic acid (PubChem CID 82329288) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[3-oxobutan-2-yl(propyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-oxobutan-2-yl(propyl)amino]propanoic acid
PubChem CID82329288
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[3-oxobutan-2-yl(propyl)amino]propanoic acid
SMILESCCCN(CCC(=O)O)C(C)C(C)=O
InChIInChI=1S/C10H19NO3/c1-4-6-11(7-5-10(13)14)8(2)9(3)12/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyKEBOMEIYCYYCBR-UHFFFAOYSA-N
XLogP1.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[3-oxobutan-2-yl(propyl)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-[2-carboxyethyl(propyl)amino]propanoic acid
CID 82328060
3-[ethyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329294
3-[2-methylpropyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329289
3-[3-butoxypropyl(3-oxobutan-2-yl)amino]propanoic acid
CID 82329308
3-[2-carboxyethyl(3-oxobutan-2-yl)amino]-2-methylpropanoic acid
CID 82329391
3-[1-hydroxybutan-2-yl(propyl)amino]propanoic acid
CID 82328088
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
CID 82329086
(3S)-3-[methyl(propyl)amino]butan-2-one
CID 93295226
2-(dipropylamino)propanamide
CID 18474126
3-[(2-chlorophenyl)methyl-(3-oxobutan-2-yl)amino]propanoic acid
CID 82329344
ethane;(3S)-3-[methyl(propyl)amino]butan-2-one
CID 166155780
3-[3-oxobutan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82329316

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxobutan-2-yl(propyl)amino]propanoic acid?
The IUPAC name of 3-[3-oxobutan-2-yl(propyl)amino]propanoic acid (CID 82329288) is 3-[3-oxobutan-2-yl(propyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-oxobutan-2-yl(propyl)amino]propanoic acid?
The canonical SMILES for 3-[3-oxobutan-2-yl(propyl)amino]propanoic acid is CCCN(CCC(=O)O)C(C)C(C)=O.
What is the InChIKey of 3-[3-oxobutan-2-yl(propyl)amino]propanoic acid?
The InChIKey is KEBOMEIYCYYCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-6-11(7-5-10(13)14)8(2)9(3)12/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[3-oxobutan-2-yl(propyl)amino]propanoic acid?
3-[3-oxobutan-2-yl(propyl)amino]propanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxobutan-2-yl(propyl)amino]propanoic acid is sourced from PubChem (CID 82329288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).