(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid

C13H15NO3 — CID 79984518

IUPAC(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1cccc(C2CC2)c1
InChIInChI=1S/C13H15NO3/c15-8-14-12(7-13(16)17)11-3-1-2-10(6-11)9-4-5-9/h1-3,6,8-9,12H,4-5,7H2,(H,14,15)(H,16,17)/t12-/m1/s1
InChIKeyZEGPYHOSXCZVTR-GFCCVEGCSA-N
MW233.27 g/mol
LogP1.83
Rot. Bonds6

About (3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid

(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid (PubChem CID 79984518) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid.

Molecular Properties

Compound Name(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
PubChem CID79984518
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1cccc(C2CC2)c1
InChIInChI=1S/C13H15NO3/c15-8-14-12(7-13(16)17)11-3-1-2-10(6-11)9-4-5-9/h1-3,6,8-9,12H,4-5,7H2,(H,14,15)(H,16,17)/t12-/m1/s1
InChIKeyZEGPYHOSXCZVTR-GFCCVEGCSA-N
XLogP1.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-formamido-3-(3-methoxyphenyl)propanoic acid
CID 78961916
4-amino-3-(3-cyclopropylphenyl)butanoic acid
CID 79978164
(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79978313
3-amino-3-(3-cyclobutylphenyl)propanoic acid
CID 83837155
3-amino-3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117417985
(3R)-3-(3-bromo-4-methylphenyl)-3-formamidopropanoic acid
CID 105405245
(3S)-3-(4-fluoro-3-methylphenyl)-3-formamidopropanoic acid
CID 78961833
methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate
CID 79976702
(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid
CID 78961885
3-(2,3-dihydro-1-benzofuran-6-yl)-3-formamidopropanoic acid
CID 165121477
(3R)-3-formamido-3-(2-methylquinolin-6-yl)propanoic acid
CID 105378957
3-cyclopropyl-3-[3-(1-methylazetidin-3-yl)phenyl]propanoic acid
CID 117402253

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid?
The IUPAC name of (3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid (CID 79984518) is (3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid.
What is the SMILES notation for (3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid?
The canonical SMILES for (3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid is O=CN[C@H](CC(=O)O)c1cccc(C2CC2)c1.
What is the InChIKey of (3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid?
The InChIKey is ZEGPYHOSXCZVTR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO3/c15-8-14-12(7-13(16)17)11-3-1-2-10(6-11)9-4-5-9/h1-3,6,8-9,12H,4-5,7H2,(H,14,15)(H,16,17)/t12-/m1/s1.
What are the key properties of (3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid?
(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid has a molecular weight of 233.27 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid is sourced from PubChem (CID 79984518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).