benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate

C14H19NO4 — CID 57331884

IUPACbenzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
SMILESO=C(N[C@H]1CCC[C@H](O)[C@H]1O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c16-12-8-4-7-11(13(12)17)15-14(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11-13,16-17H,4,7-9H2,(H,15,18)/t11-,12-,13-/m0/s1
InChIKeyVOEKAYMXKUJVKK-AVGNSLFASA-N
MW265.31 g/mol
LogP1.19
Rot. Bonds3

About benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate

benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate (PubChem CID 57331884) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
PubChem CID57331884
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namebenzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
SMILESO=C(N[C@H]1CCC[C@H](O)[C@H]1O)OCc1ccccc1
InChIInChI=1S/C14H19NO4/c16-12-8-4-7-11(13(12)17)15-14(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11-13,16-17H,4,7-9H2,(H,15,18)/t11-,12-,13-/m0/s1
InChIKeyVOEKAYMXKUJVKK-AVGNSLFASA-N
XLogP1.19
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
ethyl (1R,2S,3R)-2-hydroxy-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 10245512
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 11921385
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl 2,5-dioxocyclopentane-1-carboxylate;benzyl N-(2-hydroxy-3-methylcyclohexyl)carbamate
CID 143473102
benzyl N-[2-(dimethylamino)cyclopentyl]carbamate
CID 23349723
benzyl N-[(1R,2S)-2-phenylselanylcyclohexyl]carbamate
CID 10834125
benzyl N-[(1S,2S)-2-cyanocyclopentyl]carbamate
CID 23636183

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate?
The IUPAC name of benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate (CID 57331884) is benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate is O=C(N[C@H]1CCC[C@H](O)[C@H]1O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate?
The InChIKey is VOEKAYMXKUJVKK-AVGNSLFASA-N. The full InChI is InChI=1S/C14H19NO4/c16-12-8-4-7-11(13(12)17)15-14(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11-13,16-17H,4,7-9H2,(H,15,18)/t11-,12-,13-/m0/s1.
What are the key properties of benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate?
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate is sourced from PubChem (CID 57331884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).