2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate

C12H17NO3 — CID 81361011

IUPAC2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
SMILESCc1cccc([C@H](C)NC(=O)OCCO)c1
InChIInChI=1S/C12H17NO3/c1-9-4-3-5-11(8-9)10(2)13-12(15)16-7-6-14/h3-5,8,10,14H,6-7H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyJSQXPZVOGIYQGX-JTQLQIEISA-N
MW223.27 g/mol
LogP1.77
Rot. Bonds4

About 2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate

2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate (PubChem CID 81361011) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
PubChem CID81361011
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
SMILESCc1cccc([C@H](C)NC(=O)OCCO)c1
InChIInChI=1S/C12H17NO3/c1-9-4-3-5-11(8-9)10(2)13-12(15)16-7-6-14/h3-5,8,10,14H,6-7H2,1-2H3,(H,13,15)/t10-/m0/s1
InChIKeyJSQXPZVOGIYQGX-JTQLQIEISA-N
XLogP1.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-[(1R)-1-(4-methylphenyl)ethyl]carbamate
CID 81357175
2-hydroxyethyl N-[1-(2,4-dimethylphenyl)ethyl]carbamate
CID 79346636
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81360481
phenyl N-[(1R)-1-(3-methylphenyl)ethyl]carbamate
CID 81360922
3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
2-hydroxyethyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
CID 81355345
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
ethyl 4-[[(1S)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoate
CID 81363588
2-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81360390
4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360738
4-[[(1R)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 81363109

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate (CID 81361011) is 2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate is Cc1cccc([C@H](C)NC(=O)OCCO)c1.
What is the InChIKey of 2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate?
The InChIKey is JSQXPZVOGIYQGX-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17NO3/c1-9-4-3-5-11(8-9)10(2)13-12(15)16-7-6-14/h3-5,8,10,14H,6-7H2,1-2H3,(H,13,15)/t10-/m0/s1.
What are the key properties of 2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate?
2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate has a molecular weight of 223.27 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate is sourced from PubChem (CID 81361011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).