3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid

C11H16N2O3 — CID 60840037

IUPAC3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
SMILESCc1cc(CN(CCC(=O)O)C2CC2)no1
InChIInChI=1S/C11H16N2O3/c1-8-6-9(12-16-8)7-13(10-2-3-10)5-4-11(14)15/h6,10H,2-5,7H2,1H3,(H,14,15)
InChIKeyFTPKCKNCDLVTOF-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.42
Rot. Bonds6

About 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid

3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid (PubChem CID 60840037) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
PubChem CID60840037
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
SMILESCc1cc(CN(CCC(=O)O)C2CC2)no1
InChIInChI=1S/C11H16N2O3/c1-8-6-9(12-16-8)7-13(10-2-3-10)5-4-11(14)15/h6,10H,2-5,7H2,1H3,(H,14,15)
InChIKeyFTPKCKNCDLVTOF-UHFFFAOYSA-N
XLogP1.42
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]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

3-[cyclopropyl-[(6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 79260864
3-[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]propanoic acid
CID 60839372
3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 82892878
4-[[cyclopropyl-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]methyl]benzamide
CID 46572351
methyl (2R)-2-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoate
CID 95303027
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 84569102
3-[cyclopropyl-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]amino]propanoic acid
CID 60840392
3-[cyclopropyl-[(1-pentan-3-ylpyrazol-3-yl)methyl]amino]propanoic acid
CID 64783639
(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944535
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
N-cyclopropyl-N-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 43577020
cis-(1S,2R)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93320943

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid (CID 60840037) is 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid is Cc1cc(CN(CCC(=O)O)C2CC2)no1.
What is the InChIKey of 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
The InChIKey is FTPKCKNCDLVTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-6-9(12-16-8)7-13(10-2-3-10)5-4-11(14)15/h6,10H,2-5,7H2,1H3,(H,14,15).
What are the key properties of 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 60840037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).