(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide

C11H22N2O2 — CID 103797658

IUPAC(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-3-10(12)11(14)13-8(2)9-4-6-15-7-5-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,10-/m0/s1
InChIKeyGBZZIBOHTVKSQE-HTLJXXAVSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds4

About (2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide

(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide (PubChem CID 103797658) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
PubChem CID103797658
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide
SMILESCC[C@H](N)C(=O)NC(C)C1CCOCC1
InChIInChI=1S/C11H22N2O2/c1-3-10(12)11(14)13-8(2)9-4-6-15-7-5-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,10-/m0/s1
InChIKeyGBZZIBOHTVKSQE-HTLJXXAVSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-[1-(oxan-4-yl)ethyl]pentanamide
CID 103833265
2-amino-N-(1-cyclopentylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792981
3-amino-4-[[(1S)-1-cyclohexylethyl]amino]-4-oxobutanoic acid
CID 81386150
N-[1-(oxan-4-yl)ethyl]butanamide
CID 103769211
2-[1-(oxan-4-yl)ethylamino]butanamide
CID 103768077
2-amino-3-methyl-N-[1-(oxolan-3-yl)ethyl]butanamide
CID 115868590
N-[1-(oxan-4-yl)ethyl]cyclopropanecarboxamide
CID 103769201
4-amino-N-[1-(oxan-4-yl)ethyl]butanamide
CID 103797662
2-(methylamino)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801745
(2S,3S)-2-amino-N-(1-cyclobutylethyl)-3-methylpentanamide
CID 103950949
4-amino-2,2-dimethyl-N-[1-(oxan-4-yl)ethyl]butanamide
CID 114285687
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide (CID 103797658) is (2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide is CC[C@H](N)C(=O)NC(C)C1CCOCC1.
What is the InChIKey of (2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide?
The InChIKey is GBZZIBOHTVKSQE-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-10(12)11(14)13-8(2)9-4-6-15-7-5-9/h8-10H,3-7,12H2,1-2H3,(H,13,14)/t8?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide?
(2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(oxan-4-yl)ethyl]butanamide is sourced from PubChem (CID 103797658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).