(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide

C12H23NO3 — CID 103873564

IUPAC(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide
SMILESCCCC(CCO)CNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H23NO3/c1-2-4-10(6-7-14)9-13-12(15)11-5-3-8-16-11/h10-11,14H,2-9H2,1H3,(H,13,15)/t10?,11-/m0/s1
InChIKeyRQJXUIGZGUINMF-DTIOYNMSSA-N
MW229.32 g/mol
LogP1.08
Rot. Bonds7

About (2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide

(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide (PubChem CID 103873564) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide
PubChem CID103873564
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide
SMILESCCCC(CCO)CNC(=O)[C@@H]1CCCO1
InChIInChI=1S/C12H23NO3/c1-2-4-10(6-7-14)9-13-12(15)11-5-3-8-16-11/h10-11,14H,2-9H2,1H3,(H,13,15)/t10?,11-/m0/s1
InChIKeyRQJXUIGZGUINMF-DTIOYNMSSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855763
N-(3-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65037062
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
5-methyl-3-[[[(2S)-oxolane-2-carbonyl]amino]methyl]hexanoic acid
CID 104855778
(2S)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]propanoic acid
CID 104855649
2-methyl-3-(oxolane-2-carbonylamino)propanoic acid
CID 53211445
N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide
CID 70906725
(2R)-N-[2-methyl-3-(methylamino)propyl]oxolane-2-carboxamide
CID 104856434
4-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]pentanoic acid
CID 104855855

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide (CID 103873564) is (2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide is CCCC(CCO)CNC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide?
The InChIKey is RQJXUIGZGUINMF-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-4-10(6-7-14)9-13-12(15)11-5-3-8-16-11/h10-11,14H,2-9H2,1H3,(H,13,15)/t10?,11-/m0/s1.
What are the key properties of (2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide?
(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide has a molecular weight of 229.32 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide is sourced from PubChem (CID 103873564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).