2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid

C14H17NO3 — CID 54900888

IUPAC2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c1-2-15(10-12(16)17)13(18)14(8-9-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
InChIKeyHNOQIGROZCVCMP-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.65
Rot. Bonds5

About 2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid

2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid (PubChem CID 54900888) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
PubChem CID54900888
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C14H17NO3/c1-2-15(10-12(16)17)13(18)14(8-9-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17)
InChIKeyHNOQIGROZCVCMP-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113198157
N,N-diethyl-4-phenylpiperidine-4-carboxamide
CID 22361711
N-(3-bromopropyl)-N-ethyl-1-phenylcyclopropane-1-carboxamide
CID 113469199
2-[(1-phenylcyclopropanecarbonyl)-propan-2-ylamino]acetic acid
CID 60831044
N-(2-chloroethyl)-1-phenyl-N-propylcyclopropane-1-carboxamide
CID 63392759
1-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 115913375
2-[[1-(3-methylphenyl)cyclobutanecarbonyl]-propylamino]acetic acid
CID 61012880
2-[(1-phenylcyclopentanecarbonyl)-propan-2-ylamino]acetic acid
CID 60831036
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 115913657
N-methyl-1-phenylcyclopropane-1-carbohydrazide
CID 116846008
N-ethyl-N,1-diphenylcyclobutane-1-carboxamide
CID 69093061
ethyl 2-[ethyl-[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]acetate
CID 61013046

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid (CID 54900888) is 2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)C1(c2ccccc2)CC1.
What is the InChIKey of 2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid?
The InChIKey is HNOQIGROZCVCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-15(10-12(16)17)13(18)14(8-9-14)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid?
2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid has a molecular weight of 247.29 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-phenylcyclopropanecarbonyl)amino]acetic acid is sourced from PubChem (CID 54900888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).