2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid

C9H15NO3 — CID 174368010

IUPAC2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(C(=O)O)N(C)C1=CCC1
InChIInChI=1S/C9H15NO3/c1-6(11)8(9(12)13)10(2)7-4-3-5-7/h4,6,8,11H,3,5H2,1-2H3,(H,12,13)
InChIKeyQEBFWQSSGOMLAH-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.43
Rot. Bonds4

About 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid

2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid (PubChem CID 174368010) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid
PubChem CID174368010
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(C(=O)O)N(C)C1=CCC1
InChIInChI=1S/C9H15NO3/c1-6(11)8(9(12)13)10(2)7-4-3-5-7/h4,6,8,11H,3,5H2,1-2H3,(H,12,13)
InChIKeyQEBFWQSSGOMLAH-UHFFFAOYSA-N
XLogP0.43
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic 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

(2R,3R)-2-(dimethylamino)-3-hydroxybutanoic acid
CID 131877082
3-hydroxy-2-[1-hydroxyethyl(methyl)amino]butanoic acid
CID 174747251
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
3-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64917116
5-methylcyclohexa-1,5-diene-1-carboxylic acid
CID 14219118
(2S)-2-(N,4-dimethylanilino)-3-methylbutanoic acid
CID 70572600
2-[bis(2-amino-3-hydroxybutanoyl)amino]-3-hydroxybutanoic acid
CID 87844230
2-(dimethylamino)-3-methylbutanoic acid;hydrochloride
CID 71299250
2,3-bis(dimethylamino)butanoic acid
CID 23346831
N-but-3-yn-2-yl-N-methylcyclobutene-1-carboxamide
CID 130635361
2-[[2-[cyclopenten-1-yl(ethyl)amino]-2-oxoethyl]-methylamino]propanoic acid
CID 55096747
1-(dimethylamino)ethanol;2-hydroxypropanoic acid
CID 21124980

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid (CID 174368010) is 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid is CC(O)C(C(=O)O)N(C)C1=CCC1.
What is the InChIKey of 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid?
The InChIKey is QEBFWQSSGOMLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(11)8(9(12)13)10(2)7-4-3-5-7/h4,6,8,11H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid?
2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid has a molecular weight of 185.22 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobuten-1-yl(methyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 174368010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).