ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate

C16H21NO4 — CID 121454489

IUPACethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H21NO4/c1-2-20-15(18)14-8-13(9-14)10-17-16(19)21-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,19)
InChIKeyFXPWAYRLCHRKBH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.50
Rot. Bonds6

About ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate

ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate (PubChem CID 121454489) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate
PubChem CID121454489
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C16H21NO4/c1-2-20-15(18)14-8-13(9-14)10-17-16(19)21-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,19)
InChIKeyFXPWAYRLCHRKBH-UHFFFAOYSA-N
XLogP2.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659
benzyl N-(oxetan-3-ylmethyl)carbamate
CID 155920910
benzyl N-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methyl]carbamate
CID 171936884
benzyl N-[[(1R,3S)-3-hydroxycyclopentyl]methyl]carbamate
CID 124634239
benzyl N-[(3-methylcyclohexyl)methyl]carbamate
CID 130157820
benzyl N-(spiro[2.5]octan-6-ylmethyl)carbamate
CID 71243330
benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
benzyl 3-(fluoromethyl)cyclobutane-1-carboxylate
CID 90205162
2-(3-phenylmethoxycarbonylcyclobutyl)acetic acid
CID 170907534
benzyl N-[[4-(phenylcarbamoyl)cyclohexyl]methyl]carbamate
CID 69455097
benzyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 130580965

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate (CID 121454489) is ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate is CCOC(=O)C1CC(CNC(=O)OCc2ccccc2)C1.
What is the InChIKey of ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate?
The InChIKey is FXPWAYRLCHRKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-20-15(18)14-8-13(9-14)10-17-16(19)21-11-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3,(H,17,19).
What are the key properties of ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate?
ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 121454489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).