2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid

C13H17NO3 — CID 70065894

IUPAC2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
SMILESNC(Cc1ccccc1)C(O)C1CC1C(=O)O
InChIInChI=1S/C13H17NO3/c14-11(6-8-4-2-1-3-5-8)12(15)9-7-10(9)13(16)17/h1-5,9-12,15H,6-7,14H2,(H,16,17)
InChIKeyRAKZLKFNKMCIRF-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.64
Rot. Bonds5

About 2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid

2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid (PubChem CID 70065894) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
PubChem CID70065894
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid
SMILESNC(Cc1ccccc1)C(O)C1CC1C(=O)O
InChIInChI=1S/C13H17NO3/c14-11(6-8-4-2-1-3-5-8)12(15)9-7-10(9)13(16)17/h1-5,9-12,15H,6-7,14H2,(H,16,17)
InChIKeyRAKZLKFNKMCIRF-UHFFFAOYSA-N
XLogP0.64
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849
(1S,2S)-2-amino-3-phenyl-1-[(1S)-2-phenylcyclopentyl]propan-1-ol
CID 70235725
(2S,3S)-3-amino-2-hydroxy-4-phenylbutanamide
CID 57194593
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide
CID 66644721
(3R,4S)-4-amino-3-hydroxy-5-phenylpentan-2-one
CID 59897360
3-amino-N-cyclopropyl-2-hydroxy-4-phenylbutanamide;dihydrochloride
CID 66644720
(2S,3S,4S,5S)-2,5-diamino-1,6-diphenylhexane-3,4-diol;bis(2,2,2-trifluoroacetic acid)
CID 24799463
3-amino-N-cyclopentyl-2-hydroxy-4-phenylbutanamide
CID 23297928
2-[amino-(4-propan-2-ylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938559
benzyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 13210432
2-[1-(4-methylphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83930911

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid (CID 70065894) is 2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid is NC(Cc1ccccc1)C(O)C1CC1C(=O)O.
What is the InChIKey of 2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid?
The InChIKey is RAKZLKFNKMCIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-11(6-8-4-2-1-3-5-8)12(15)9-7-10(9)13(16)17/h1-5,9-12,15H,6-7,14H2,(H,16,17).
What are the key properties of 2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid?
2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid has a molecular weight of 235.28 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxy-3-phenylpropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70065894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).