ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate

C15H19NO4 — CID 139907855

IUPACethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H19NO4/c1-2-19-13(17)15(8-9-15)11-16-14(18)20-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18)
InChIKeyXPDGOJKXJWTZFA-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.26
Rot. Bonds6

About ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate

ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate (PubChem CID 139907855) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
PubChem CID139907855
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CNC(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H19NO4/c1-2-19-13(17)15(8-9-15)11-16-14(18)20-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18)
InChIKeyXPDGOJKXJWTZFA-UHFFFAOYSA-N
XLogP2.26
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 18536406
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
3,3-diethyl-1-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylic acid
CID 165485509
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
1-(phenylmethoxycarbonylaminomethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 165478968
3-(phenylmethoxycarbonylaminomethyl)oxane-3-carboxylic acid
CID 165478972
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
benzyl N-[[1-(2-chloroacetyl)cyclohexyl]methyl]carbamate
CID 104701740
benzyl N-[1-(hydroxymethyl)cyclopropyl]carbamate;ethyl 1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
CID 158945243
1-O-tert-butyl 4-O-methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-1,4-dicarboxylate
CID 68992342

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate (CID 139907855) is ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate is CCOC(=O)C1(CNC(=O)OCc2ccccc2)CC1.
What is the InChIKey of ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate?
The InChIKey is XPDGOJKXJWTZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-19-13(17)15(8-9-15)11-16-14(18)20-10-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,16,18).
What are the key properties of ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate?
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 139907855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).