methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate

C14H17NO4 — CID 177254785

IUPACmethyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NCC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H17NO4/c1-18-13(17)14(7-8-14)15-9-12(16)19-10-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3
InChIKeyCXHXZBBSXZAQNB-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.02
Rot. Bonds6

About methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate

methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate (PubChem CID 177254785) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate
PubChem CID177254785
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namemethyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NCC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H17NO4/c1-18-13(17)14(7-8-14)15-9-12(16)19-10-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3
InChIKeyCXHXZBBSXZAQNB-UHFFFAOYSA-N
XLogP1.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclohexane-1-carboxylate
CID 171057016
2-[(1-phenylmethoxycarbonylcyclopentyl)amino]acetic acid
CID 70338287
4-methyl-4-[(2-oxo-2-phenylmethoxyethyl)amino]piperidine-1-carboxylic acid
CID 122625042
trans-methyl (4R,5R)-4,5-dimethoxy-1-(phenylmethoxycarbonylamino)cycloheptane-1-carboxylate
CID 23629479
methyl 3-(phenylmethoxycarbonylamino)oxetane-3-carboxylate
CID 129285191
methyl (2R,3R)-2,3-dimethyl-8-(phenylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 101468170
methyl 3-(aminomethyl)-1-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 117272484
methyl 1-(benzylamino)-3-ethylcyclopentane-1-carboxylate
CID 64513799
methyl 1-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopropane-1-carboxylate
CID 10587559
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
1-O-benzyl 4-O-methyl 4-[(3-ethoxy-3-oxopropanoyl)amino]piperidine-1,4-dicarboxylate
CID 70987725
methyl (2R,3R)-8-[[(2R,3R)-2,3-dimethyl-8-(phenylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carbonyl]amino]-2,3-dimethyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 101481496

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate (CID 177254785) is methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate is COC(=O)C1(NCC(=O)OCc2ccccc2)CC1.
What is the InChIKey of methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate?
The InChIKey is CXHXZBBSXZAQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-18-13(17)14(7-8-14)15-9-12(16)19-10-11-5-3-2-4-6-11/h2-6,15H,7-10H2,1H3.
What are the key properties of methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate?
methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate has a molecular weight of 263.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2-oxo-2-phenylmethoxyethyl)amino]cyclopropane-1-carboxylate is sourced from PubChem (CID 177254785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).