(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid

C13H15NO3 — CID 79978313

IUPAC(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1ccccc1C1CC1
InChIInChI=1S/C13H15NO3/c15-8-14-12(7-13(16)17)11-4-2-1-3-10(11)9-5-6-9/h1-4,8-9,12H,5-7H2,(H,14,15)(H,16,17)/t12-/m1/s1
InChIKeyJDVJXEPOLWOOQP-GFCCVEGCSA-N
MW233.27 g/mol
LogP1.83
Rot. Bonds6

About (3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid

(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid (PubChem CID 79978313) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid.

Molecular Properties

Compound Name(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid
PubChem CID79978313
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid
SMILESO=CN[C@H](CC(=O)O)c1ccccc1C1CC1
InChIInChI=1S/C13H15NO3/c15-8-14-12(7-13(16)17)11-4-2-1-3-10(11)9-5-6-9/h1-4,8-9,12H,5-7H2,(H,14,15)(H,16,17)/t12-/m1/s1
InChIKeyJDVJXEPOLWOOQP-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-acetamido-3-(2-cyclopropylphenyl)propanoic acid
CID 79978199
(3R)-3-(3-cyclopropylphenyl)-3-formamidopropanoic acid
CID 79984518
4-amino-3-(2-cyclopropylphenyl)pentanoic acid
CID 79983405
3-formamido-3-(5,6,7,8-tetrahydronaphthalen-1-yl)propanoic acid
CID 165121353
3-[(2-cyclopropylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 166273738
4-amino-3-(2-cyclopropylphenyl)hexanoic acid
CID 79982337
3-(2-cyclopropylphenyl)-3-hydroxypropanal
CID 114795310
4-chloro-4-(2-cyclopropylphenyl)butanoic acid
CID 103440168
(3R)-3-(2,6-dichlorophenyl)-3-formamidopropanoic acid
CID 78961885
2-(2-cyclopropylphenyl)-2-(ethylamino)ethanol
CID 79983481
[2-cyclobutyl-1-(2-cyclobutylphenyl)ethyl]hydrazine
CID 103170854
2-(2-cyclopropylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 79973080

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid?
The IUPAC name of (3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid (CID 79978313) is (3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid.
What is the SMILES notation for (3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid?
The canonical SMILES for (3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid is O=CN[C@H](CC(=O)O)c1ccccc1C1CC1.
What is the InChIKey of (3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid?
The InChIKey is JDVJXEPOLWOOQP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H15NO3/c15-8-14-12(7-13(16)17)11-4-2-1-3-10(11)9-5-6-9/h1-4,8-9,12H,5-7H2,(H,14,15)(H,16,17)/t12-/m1/s1.
What are the key properties of (3R)-3-(2-cyclopropylphenyl)-3-formamidopropanoic acid?
(3R)-3-(2-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-(2-cyclopropylphenyl)-3-formamidopropanoic acid is sourced from PubChem (CID 79978313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).