2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid

C14H17NO3 — CID 63703192

IUPAC2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid
SMILESCC(=O)N(C1CC1)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(16)15(12-8-9-12)14(2,13(17)18)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,17,18)
InChIKeyYDDMOMARTRAVQC-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.00
Rot. Bonds4

About 2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid

2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid (PubChem CID 63703192) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid
PubChem CID63703192
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid
SMILESCC(=O)N(C1CC1)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-10(16)15(12-8-9-12)14(2,13(17)18)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,17,18)
InChIKeyYDDMOMARTRAVQC-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[acetyl(cyclopropyl)amino]-2-pyridin-4-ylpropanoic acid
CID 63705044
2-[acetyl(cyclopropyl)amino]-2-(5-fluoro-2-pyridinyl)propanoic acid
CID 83119830
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
(2S)-2-(dimethylamino)-2-phenylpropanoic acid
CID 51374247
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
N-[1-(2-amino-2-phenylpropanoyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 120590583
2-[acetyl(cyclopropyl)amino]-2-(4-chlorophenyl)-2-cyclopropylacetic acid
CID 63701902
2-[cyclopropyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 114990361
4-[cyclopropyl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437578
2-[acetyl(methyl)amino]-2-[4-(trifluoromethyl)phenyl]propanoic acid
CID 63705318
2-[acetyl(cyclopropyl)amino]-2-methylpentanoic acid
CID 63704773
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid (CID 63703192) is 2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid is CC(=O)N(C1CC1)C(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid?
The InChIKey is YDDMOMARTRAVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(16)15(12-8-9-12)14(2,13(17)18)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid?
2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid has a molecular weight of 247.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopropyl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 63703192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).