benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate

C12H17NO3 — CID 10263004

IUPACbenzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
SMILESCC[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-11(8-14)13-12(15)16-9-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m0/s1
InChIKeySBWYBQRWDXWJDV-NSHDSACASA-N
MW223.27 g/mol
LogP1.68
Rot. Bonds5

About benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate

benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate (PubChem CID 10263004) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
PubChem CID10263004
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namebenzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate
SMILESCC[C@@H](CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H17NO3/c1-2-11(8-14)13-12(15)16-9-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m0/s1
InChIKeySBWYBQRWDXWJDV-NSHDSACASA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate (CID 10263004) is benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate is CC[C@@H](CO)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate?
The InChIKey is SBWYBQRWDXWJDV-NSHDSACASA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-11(8-14)13-12(15)16-9-10-6-4-3-5-7-10/h3-7,11,14H,2,8-9H2,1H3,(H,13,15)/t11-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate?
benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 10263004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).