2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid

C14H17NO3 — CID 54945801

IUPAC2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CCc1ccccc1)C1CC1
InChIInChI=1S/C14H17NO3/c16-13(9-6-11-4-2-1-3-5-11)15(10-14(17)18)12-7-8-12/h1-5,12H,6-10H2,(H,17,18)
InChIKeyIAEYULTYINUNMR-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.69
Rot. Bonds6

About 2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid

2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid (PubChem CID 54945801) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
PubChem CID54945801
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid
SMILESO=C(O)CN(C(=O)CCc1ccccc1)C1CC1
InChIInChI=1S/C14H17NO3/c16-13(9-6-11-4-2-1-3-5-11)15(10-14(17)18)12-7-8-12/h1-5,12H,6-10H2,(H,17,18)
InChIKeyIAEYULTYINUNMR-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(4-chlorophenyl)propanoyl-cyclopropylamino]acetic acid
CID 119194779
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
N-cyclopropyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 78850523
2-[cyclopropyl-[3-[(2-phenylacetyl)amino]propanoyl]amino]acetic acid
CID 119194773
2-[cyclopropyl-[3-[3-(methylcarbamoyl)phenyl]propanoyl]amino]acetic acid
CID 120517535
N-cyclohexyl-N-ethyl-3-phenylpropanamide
CID 670110
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-3-phenylpropanamide
CID 54996606
3-[cyclopropyl(3-phenylpropanoyl)amino]-2-methylpropanoic acid
CID 82325252
2-[cyclopentyl-(2-phenylacetyl)amino]acetic acid
CID 54926378
2-[cyclopropyl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoyl]amino]acetic acid
CID 119194609
N-(3-aminopropyl)-N-cyclobutyl-3-phenylpropanamide
CID 102873861
2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119194676

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid (CID 54945801) is 2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid is O=C(O)CN(C(=O)CCc1ccccc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid?
The InChIKey is IAEYULTYINUNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-13(9-6-11-4-2-1-3-5-11)15(10-14(17)18)12-7-8-12/h1-5,12H,6-10H2,(H,17,18).
What are the key properties of 2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid?
2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid has a molecular weight of 247.29 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-phenylpropanoyl)amino]acetic acid is sourced from PubChem (CID 54945801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).