[(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate

C14H17NO4 — CID 86744910

IUPAC[(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate
SMILESO=CO[C@H]1CC[C@H](NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO4/c16-10-19-13-7-6-12(8-13)15-14(17)18-9-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,15,17)/t12-,13-/m0/s1
InChIKeyBDGMOVYBCRRTMT-STQMWFEESA-N
MW263.29 g/mol
LogP2.01
Rot. Bonds5

About [(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate

[(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate (PubChem CID 86744910) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate.

Molecular Properties

Compound Name[(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate
PubChem CID86744910
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate
SMILESO=CO[C@H]1CC[C@H](NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C14H17NO4/c16-10-19-13-7-6-12(8-13)15-14(17)18-9-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,15,17)/t12-,13-/m0/s1
InChIKeyBDGMOVYBCRRTMT-STQMWFEESA-N
XLogP2.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
[(1S,3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(phenylmethoxycarbonylamino)cyclohexyl] formate
CID 87623364
benzyl N-(3-amino-4-hydroxycyclohexyl)carbamate
CID 130143236
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840
benzyl N-[(3S)-3-[2,2-difluoro-2-(4-methylphenyl)ethoxy]cyclopentyl]carbamate
CID 71052472

Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate?
The IUPAC name of [(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate (CID 86744910) is [(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate.
What is the SMILES notation for [(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate?
The canonical SMILES for [(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate is O=CO[C@H]1CC[C@H](NC(=O)OCc2ccccc2)C1.
What is the InChIKey of [(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate?
The InChIKey is BDGMOVYBCRRTMT-STQMWFEESA-N. The full InChI is InChI=1S/C14H17NO4/c16-10-19-13-7-6-12(8-13)15-14(17)18-9-11-4-2-1-3-5-11/h1-5,10,12-13H,6-9H2,(H,15,17)/t12-,13-/m0/s1.
What are the key properties of [(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate?
[(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate has a molecular weight of 263.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl] formate is sourced from PubChem (CID 86744910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).