cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

C14H16NO4- — CID 11921385

IUPACcis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESO=C(N[C@H]1CCC[C@H]1C(=O)[O-])OCc1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(17)11-7-4-8-12(11)15-14(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,18)(H,16,17)/p-1/t11-,12+/m1/s1
InChIKeyNVZVMVSTQZDUJQ-NEPJUHHUSA-M
MW262.28 g/mol
LogP0.83
Rot. Bonds4

About cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (PubChem CID 11921385) has the molecular formula C14H16NO4- and a molecular weight of 262.28 g/mol. Its IUPAC name is cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
PubChem CID11921385
Molecular FormulaC14H16NO4-
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Namecis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESO=C(N[C@H]1CCC[C@H]1C(=O)[O-])OCc1ccccc1
InChIInChI=1S/C14H17NO4/c16-13(17)11-7-4-8-12(11)15-14(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,18)(H,16,17)/p-1/t11-,12+/m1/s1
InChIKeyNVZVMVSTQZDUJQ-NEPJUHHUSA-M
XLogP0.83
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
CID 104701403
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
cis-(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 86295180
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
ethyl (1R,2S,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 10245512
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate
CID 23636183
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (CID 11921385) is cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is O=C(N[C@H]1CCC[C@H]1C(=O)[O-])OCc1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The InChIKey is NVZVMVSTQZDUJQ-NEPJUHHUSA-M. The full InChI is InChI=1S/C14H17NO4/c16-13(17)11-7-4-8-12(11)15-14(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,15,18)(H,16,17)/p-1/t11-,12+/m1/s1.
What are the key properties of cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 11921385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).