benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate

C13H19NO4 — CID 144673303

IUPACbenzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate
SMILESCO[C@@H](C)C(CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO4/c1-10(17-2)12(8-15)14-13(16)18-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,14,16)/t10-,12?/m0/s1
InChIKeyKUQOOJCUSCXYGJ-NUHJPDEHSA-N
MW253.30 g/mol
LogP1.31
Rot. Bonds6

About benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate

benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate (PubChem CID 144673303) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate
PubChem CID144673303
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namebenzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate
SMILESCO[C@@H](C)C(CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C13H19NO4/c1-10(17-2)12(8-15)14-13(16)18-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,14,16)/t10-,12?/m0/s1
InChIKeyKUQOOJCUSCXYGJ-NUHJPDEHSA-N
XLogP1.31
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-(1,1-dimethoxybutan-2-yl)carbamate
CID 131091159
methyl (2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 6999535
methyl 4-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 77177528
methyl (3S)-4-methyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 71742201
methyl (3R)-2-oxo-3-(phenylmethoxycarbonylamino)butanoate
CID 58773464
benzyl N-[(3S)-1-amino-4-methyl-1-oxopentan-3-yl]carbamate
CID 54429154
benzyl N-[(2S,3S)-1,3-dihydroxytridecan-2-yl]carbamate
CID 140979955
benzyl N-[(2S)-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 143504523
methyl 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 12675847
benzyl N-(4-hydroxyhexan-3-yl)carbamate
CID 131068956
methyl (2R,3S)-2-hydroxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11046151
benzyl N-(3-oxobutan-2-yl)carbamate
CID 18726564

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate (CID 144673303) is benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate is CO[C@@H](C)C(CO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate?
The InChIKey is KUQOOJCUSCXYGJ-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H19NO4/c1-10(17-2)12(8-15)14-13(16)18-9-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,14,16)/t10-,12?/m0/s1.
What are the key properties of benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate?
benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate has a molecular weight of 253.30 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-1-hydroxy-3-methoxybutan-2-yl]carbamate is sourced from PubChem (CID 144673303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).