2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate

C12H23NO3 — CID 81392829

IUPAC2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate
SMILESC[C@H](NC(=O)OCCO)C1CCCCCC1
InChIInChI=1S/C12H23NO3/c1-10(13-12(15)16-9-8-14)11-6-4-2-3-5-7-11/h10-11,14H,2-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyXHDZAAJOSGHDRS-JTQLQIEISA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds4

About 2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate

2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate (PubChem CID 81392829) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate
PubChem CID81392829
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate
SMILESC[C@H](NC(=O)OCCO)C1CCCCCC1
InChIInChI=1S/C12H23NO3/c1-10(13-12(15)16-9-8-14)11-6-4-2-3-5-7-11/h10-11,14H,2-9H2,1H3,(H,13,15)/t10-/m0/s1
InChIKeyXHDZAAJOSGHDRS-JTQLQIEISA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
N-[(1S)-1-cyclohexylethyl]-5-hydroxypentanamide
CID 81386458
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
N-[(1S)-1-cyclohexylethyl]-2-propan-2-yloxyacetamide
CID 103940569
N-[(1S)-1-cyclopentylethyl]acetamide
CID 81388909
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
[1-[3-[1-(1-cyclopropylethylcarbamoyloxymethyl)cyclohexyl]-2-oxopropyl]cyclohexyl]methyl N-(1-cyclopropylethyl)carbamate
CID 70512743
N-[(1S)-1-cyclopentylethyl]-2-methoxyacetamide
CID 81391061
3-amino-N-[(1R)-1-cyclopentylethyl]-2-methylpropanamide
CID 81390273

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate (CID 81392829) is 2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate is C[C@H](NC(=O)OCCO)C1CCCCCC1.
What is the InChIKey of 2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate?
The InChIKey is XHDZAAJOSGHDRS-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(13-12(15)16-9-8-14)11-6-4-2-3-5-7-11/h10-11,14H,2-9H2,1H3,(H,13,15)/t10-/m0/s1.
What are the key properties of 2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate?
2-hydroxyethyl N-[(1S)-1-cycloheptylethyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.06, 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-cycloheptylethyl]carbamate is sourced from PubChem (CID 81392829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).