benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate

C15H17NO5 — CID 24772932

IUPACbenzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate
SMILESO=C1C=CC[C@@H]([C@@H](CO)NC(=O)OCc2ccccc2)O1
InChIInChI=1S/C15H17NO5/c17-9-12(13-7-4-8-14(18)21-13)16-15(19)20-10-11-5-2-1-3-6-11/h1-6,8,12-13,17H,7,9-10H2,(H,16,19)/t12-,13+/m1/s1
InChIKeyKRXWEXZTLQDCKL-OLZOCXBDSA-N
MW291.30 g/mol
LogP1.15
Rot. Bonds5

About benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate

benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate (PubChem CID 24772932) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate
PubChem CID24772932
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Namebenzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate
SMILESO=C1C=CC[C@@H]([C@@H](CO)NC(=O)OCc2ccccc2)O1
InChIInChI=1S/C15H17NO5/c17-9-12(13-7-4-8-14(18)21-13)16-15(19)20-10-11-5-2-1-3-6-11/h1-6,8,12-13,17H,7,9-10H2,(H,16,19)/t12-,13+/m1/s1
InChIKeyKRXWEXZTLQDCKL-OLZOCXBDSA-N
XLogP1.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
CID 140568444
benzyl N-[(1S)-2-hydroxy-1-(oxolan-2-yl)ethyl]carbamate
CID 169233060
benzyl N-(2-hydroxy-1-piperidin-4-ylethyl)carbamate
CID 142520241
benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
CID 131112682
benzyl N-[(1S)-5-hydroxy-1-[(2S)-oxiran-2-yl]pentyl]carbamate
CID 102391896
benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate
CID 15174177
benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate
CID 18759082
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
(3R)-3-(oxolan-2-yl)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 104941294
(3S)-3-[(1S)-cyclohex-3-en-1-yl]-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481111
methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate
CID 66684480
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate (CID 24772932) is benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate is O=C1C=CC[C@@H]([C@@H](CO)NC(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate?
The InChIKey is KRXWEXZTLQDCKL-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H17NO5/c17-9-12(13-7-4-8-14(18)21-13)16-15(19)20-10-11-5-2-1-3-6-11/h1-6,8,12-13,17H,7,9-10H2,(H,16,19)/t12-,13+/m1/s1.
What are the key properties of benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate?
benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate has a molecular weight of 291.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate is sourced from PubChem (CID 24772932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).