1-(1-phenylethylamino)cyclopropane-1-carboxylic acid

C12H15NO2 — CID 45089698

IUPAC1-(1-phenylethylamino)cyclopropane-1-carboxylic acid
SMILESCC(NC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-12(7-8-12)11(14)15/h2-6,9,13H,7-8H2,1H3,(H,14,15)
InChIKeyBRAFFKHLSXJNLB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.95
Rot. Bonds4

About 1-(1-phenylethylamino)cyclopropane-1-carboxylic acid

1-(1-phenylethylamino)cyclopropane-1-carboxylic acid (PubChem CID 45089698) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(1-phenylethylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(1-phenylethylamino)cyclopropane-1-carboxylic acid
PubChem CID45089698
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(1-phenylethylamino)cyclopropane-1-carboxylic acid
SMILESCC(NC1(C(=O)O)CC1)c1ccccc1
InChIInChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-12(7-8-12)11(14)15/h2-6,9,13H,7-8H2,1H3,(H,14,15)
InChIKeyBRAFFKHLSXJNLB-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186922
3-(1-phenylethylamino)-1-phenylmethoxycarbonylazetidine-3-carboxylic acid
CID 132594137
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
1-(aminomethyl)-N-(1-phenylethyl)cyclopropan-1-amine
CID 106661264
1-[[(2S)-2-amino-2-phenylacetyl]amino]cyclopropane-1-carboxylic acid
CID 104898019
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-N-(2-methylphenyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108975398
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-[(1-hydroxycyclobutyl)methyl]-3-[[1-(1-phenylethylamino)cyclopentyl]methyl]urea
CID 111438810
1-N-(2-methylpropyl)-1-N'-(1-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108971193
4-methyl-1-[[(2S)-2-phenylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 120688295
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(1-phenylethylamino)cyclopropane-1-carboxylic acid (CID 45089698) is 1-(1-phenylethylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(1-phenylethylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(1-phenylethylamino)cyclopropane-1-carboxylic acid is CC(NC1(C(=O)O)CC1)c1ccccc1.
What is the InChIKey of 1-(1-phenylethylamino)cyclopropane-1-carboxylic acid?
The InChIKey is BRAFFKHLSXJNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9(10-5-3-2-4-6-10)13-12(7-8-12)11(14)15/h2-6,9,13H,7-8H2,1H3,(H,14,15).
What are the key properties of 1-(1-phenylethylamino)cyclopropane-1-carboxylic acid?
1-(1-phenylethylamino)cyclopropane-1-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 45089698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).