(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide

C11H22N2O2 — CID 107569103

IUPAC(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-2-4-10(12)11(14)13-7-6-9-5-3-8-15-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyRILGRFDEBGFVBY-AXDSSHIGSA-N
MW214.31 g/mol
LogP0.80
Rot. Bonds6

About (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide

(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide (PubChem CID 107569103) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
PubChem CID107569103
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NCCC1CCCO1
InChIInChI=1S/C11H22N2O2/c1-2-4-10(12)11(14)13-7-6-9-5-3-8-15-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyRILGRFDEBGFVBY-AXDSSHIGSA-N
XLogP0.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 103794477
(3S)-3-amino-4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoic acid
CID 67894474
2-amino-3-methoxy-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 81089453
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 104984102
2-(N'-hydroxycarbamimidoyl)-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 76924102
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236
(2S)-2-amino-N-(2-cyclobutylethyl)pentanamide
CID 107570634
2-bromo-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 62856863
3-(ethylamino)-2-methyl-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 62852036
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
5-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 82011608

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide (CID 107569103) is (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide is CCC[C@H](N)C(=O)NCCC1CCCO1.
What is the InChIKey of (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide?
The InChIKey is RILGRFDEBGFVBY-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-4-10(12)11(14)13-7-6-9-5-3-8-15-9/h9-10H,2-8,12H2,1H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide?
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide has a molecular weight of 214.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]pentanamide is sourced from PubChem (CID 107569103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).