methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate

C15H19NO3 — CID 78971313

IUPACmethyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-16(10-14(17)19-2)15(18)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyVAQHAHOMPMPFQU-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.81
Rot. Bonds5

About methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate

methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate (PubChem CID 78971313) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate
PubChem CID78971313
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C15H19NO3/c1-3-16(10-14(17)19-2)15(18)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3
InChIKeyVAQHAHOMPMPFQU-UHFFFAOYSA-N
XLogP1.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate
CID 78971411
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
N-ethyl-2-phenyl-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 106625905
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
trans-(1S,2S)-N-[(2S)-butan-2-yl]-N-[(2R)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 98329771
cis-(1R,2S)-N,N-bis[(2S)-butan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 40584792
methyl 2-[benzoyl(ethyl)amino]acetate
CID 57002755
2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119206122
3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119191361
cis-(1S,2R)-2-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93378256
N-methoxy-2-phenylcyclopropane-1-carboxamide
CID 72524749
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate (CID 78971313) is methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate is CCN(CC(=O)OC)C(=O)C1CC1c1ccccc1.
What is the InChIKey of methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate?
The InChIKey is VAQHAHOMPMPFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-16(10-14(17)19-2)15(18)13-9-12(13)11-7-5-4-6-8-11/h4-8,12-13H,3,9-10H2,1-2H3.
What are the key properties of methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate?
methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate has a molecular weight of 261.32 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate is sourced from PubChem (CID 78971313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).