benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate

C19H17NO4 — CID 15174177

IUPACbenzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate
SMILESO=C1C=C[C@@H]([C@@H](NC(=O)OCc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C19H17NO4/c21-17-12-11-16(24-17)18(15-9-5-2-6-10-15)20-19(22)23-13-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,20,22)/t16-,18-/m0/s1
InChIKeySQFHDFBRQIPYHH-WMZOPIPTSA-N
MW323.35 g/mol
LogP3.14
Rot. Bonds5

About benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate

benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate (PubChem CID 15174177) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate
PubChem CID15174177
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Namebenzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate
SMILESO=C1C=C[C@@H]([C@@H](NC(=O)OCc2ccccc2)c2ccccc2)O1
InChIInChI=1S/C19H17NO4/c21-17-12-11-16(24-17)18(15-9-5-2-6-10-15)20-19(22)23-13-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,20,22)/t16-,18-/m0/s1
InChIKeySQFHDFBRQIPYHH-WMZOPIPTSA-N
XLogP3.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
benzyl N-[(1R)-2-hydroxy-1-[(2S)-6-oxo-2,3-dihydropyran-2-yl]ethyl]carbamate
CID 24772932
benzyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 11011061
benzyl N-[(1S)-2-amino-1-phenylethyl]carbamate
CID 44607655
benzyl N-[(S)-(hydrazinecarbonylamino)-phenylmethyl]carbamate
CID 56599637
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate
CID 18759082
(2S)-2-iodo-2-(phenylmethoxycarbonylamino)acetic acid
CID 126547050
benzyl N-[(S)-[(1S,2R)-2-methyl-2-[[(S)-[(1S,2R)-2-methyl-2-(propan-2-ylcarbamoyl)cyclopropyl]-phenylmethyl]carbamoyl]cyclopropyl]-phenylmethyl]carbamate
CID 22525048
benzyl N-[(1S,2S)-2-amino-1,2-diphenylethyl]carbamate
CID 139989757
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
methyl (2S,3S)-3-hydroxy-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 100937559

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate?
The IUPAC name of benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate (CID 15174177) is benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate.
What is the SMILES notation for benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate?
The canonical SMILES for benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate is O=C1C=C[C@@H]([C@@H](NC(=O)OCc2ccccc2)c2ccccc2)O1.
What is the InChIKey of benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate?
The InChIKey is SQFHDFBRQIPYHH-WMZOPIPTSA-N. The full InChI is InChI=1S/C19H17NO4/c21-17-12-11-16(24-17)18(15-9-5-2-6-10-15)20-19(22)23-13-14-7-3-1-4-8-14/h1-12,16,18H,13H2,(H,20,22)/t16-,18-/m0/s1.
What are the key properties of benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate?
benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate has a molecular weight of 323.35 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(S)-[(2S)-5-oxo-2H-furan-2-yl]-phenylmethyl]carbamate is sourced from PubChem (CID 15174177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).