2-acetamido-3-(2-cyclopropylphenyl)propanoic acid

C14H17NO3 — CID 79976736

IUPAC2-acetamido-3-(2-cyclopropylphenyl)propanoic acid
SMILESCC(=O)NC(Cc1ccccc1C1CC1)C(=O)O
InChIInChI=1S/C14H17NO3/c1-9(16)15-13(14(17)18)8-11-4-2-3-5-12(11)10-6-7-10/h2-5,10,13H,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyYWJQNCGKNFUZHY-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.70
Rot. Bonds5

About 2-acetamido-3-(2-cyclopropylphenyl)propanoic acid

2-acetamido-3-(2-cyclopropylphenyl)propanoic acid (PubChem CID 79976736) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-acetamido-3-(2-cyclopropylphenyl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-cyclopropylphenyl)propanoic acid
PubChem CID79976736
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-acetamido-3-(2-cyclopropylphenyl)propanoic acid
SMILESCC(=O)NC(Cc1ccccc1C1CC1)C(=O)O
InChIInChI=1S/C14H17NO3/c1-9(16)15-13(14(17)18)8-11-4-2-3-5-12(11)10-6-7-10/h2-5,10,13H,6-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyYWJQNCGKNFUZHY-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-cyclopropylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 103740515
2-acetamido-3-(2-iodophenyl)propanoic acid
CID 90399104
(3S)-3-amino-4-(2-cyclopropylphenyl)butan-2-one
CID 90076481
2-acetamido-3-[2-(ethylamino)phenyl]propanoic acid
CID 22603328
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
(3R)-3-acetamido-3-(2-cyclopropylphenyl)propanoic acid
CID 79978199
(2S)-2-acetamido-3-phenylpropanoic acid;N-cyclohexylcyclohexanamine
CID 71411659
2-acetamido-3-(2-butoxyphenyl)propanoic acid
CID 54846912
2-acetamido-3-(3-methoxy-2-propan-2-yloxyphenyl)propanoic acid
CID 54846837
2-acetamido-3-(2,2-dimethyl-3H-1-benzofuran-7-yl)propanoic acid
CID 64509475
(2R)-2-acetamido-3-(1-methylindol-3-yl)propanoic acid
CID 95466654
2-acetamido-3-isoquinolin-4-ylpropanoic acid
CID 104504316

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-cyclopropylphenyl)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-cyclopropylphenyl)propanoic acid (CID 79976736) is 2-acetamido-3-(2-cyclopropylphenyl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-cyclopropylphenyl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-cyclopropylphenyl)propanoic acid is CC(=O)NC(Cc1ccccc1C1CC1)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-cyclopropylphenyl)propanoic acid?
The InChIKey is YWJQNCGKNFUZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9(16)15-13(14(17)18)8-11-4-2-3-5-12(11)10-6-7-10/h2-5,10,13H,6-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-acetamido-3-(2-cyclopropylphenyl)propanoic acid?
2-acetamido-3-(2-cyclopropylphenyl)propanoic acid has a molecular weight of 247.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-cyclopropylphenyl)propanoic acid is sourced from PubChem (CID 79976736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).