3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid

C8H15NO3 — CID 103264023

IUPAC3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid
SMILESCC1(NCC(O)CC(=O)O)CC1
InChIInChI=1S/C8H15NO3/c1-8(2-3-8)9-5-6(10)4-7(11)12/h6,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyXLQBWKFHYQLCIO-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.04
Rot. Bonds5

About 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid

3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid (PubChem CID 103264023) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid
PubChem CID103264023
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid
SMILESCC1(NCC(O)CC(=O)O)CC1
InChIInChI=1S/C8H15NO3/c1-8(2-3-8)9-5-6(10)4-7(11)12/h6,9-10H,2-5H2,1H3,(H,11,12)
InChIKeyXLQBWKFHYQLCIO-UHFFFAOYSA-N
XLogP-0.04
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoate
CID 103263974
3-hydroxy-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 103253725
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
4-[(2,2-dimethylcyclohexyl)amino]-3-hydroxybutanoic acid
CID 103256634
1-fluoro-3-[(1-methylcyclobutyl)amino]propan-2-ol
CID 131219844
5-[(1-methylcyclopropyl)amino]pentanoic acid
CID 103263978
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569
4-[(1-amino-1-oxopropan-2-yl)amino]-3-hydroxybutanoic acid
CID 103238903
3-hydroxy-4-(prop-2-ynylamino)butanoic acid
CID 103230585
4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 82770051
3-hydroxy-4-(1-methylsulfanylpropan-2-ylamino)butanoic acid
CID 103266131
3-hydroxy-4-(2,3,4,5,6-pentafluoroanilino)butanoic acid
CID 103260898

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid?
The IUPAC name of 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid (CID 103264023) is 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid.
What is the SMILES notation for 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid?
The canonical SMILES for 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid is CC1(NCC(O)CC(=O)O)CC1.
What is the InChIKey of 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid?
The InChIKey is XLQBWKFHYQLCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-8(2-3-8)9-5-6(10)4-7(11)12/h6,9-10H,2-5H2,1H3,(H,11,12).
What are the key properties of 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid?
3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid has a molecular weight of 173.21 g/mol, XLogP of -0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-[(1-methylcyclopropyl)amino]butanoic acid is sourced from PubChem (CID 103264023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).