methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate

C16H21NO3 — CID 78971411

IUPACmethyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-17(10-9-15(18)20-2)16(19)14-11-13(14)12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyONLKHDKFQPFQBA-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.20
Rot. Bonds6

About methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate

methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate (PubChem CID 78971411) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate
PubChem CID78971411
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namemethyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-17(10-9-15(18)20-2)16(19)14-11-13(14)12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3
InChIKeyONLKHDKFQPFQBA-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate
CID 78971313
3-[ethyl-[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119191361
3-[[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-ethylamino]propanoic acid
CID 124684391
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
methyl 3-[benzyl-[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoate
CID 55513092
methyl 3-[bicyclo[2.2.1]hept-5-ene-2-carbonyl(ethyl)amino]propanoate
CID 54898736
methyl 3-[ethyl-(2-methyloxolane-3-carbonyl)amino]propanoate
CID 79762794
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
N-ethyl-2-phenyl-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 106625905
3-[(2,3-difluorophenyl)methyl-[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119212472

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate (CID 78971411) is methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)C1CC1c1ccccc1.
What is the InChIKey of methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate?
The InChIKey is ONLKHDKFQPFQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-17(10-9-15(18)20-2)16(19)14-11-13(14)12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3.
What are the key properties of methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate?
methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate has a molecular weight of 275.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(2-phenylcyclopropanecarbonyl)amino]propanoate is sourced from PubChem (CID 78971411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).