(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide

C10H20N2O2 — CID 61154415

IUPAC(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC1CCOCC1
InChIInChI=1S/C10H20N2O2/c1-7(2)9(11)10(13)12-8-3-5-14-6-4-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyNPIXIFLIVHSGQF-VIFPVBQESA-N
MW200.28 g/mol
LogP0.26
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide

(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide (PubChem CID 61154415) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
PubChem CID61154415
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC1CCOCC1
InChIInChI=1S/C10H20N2O2/c1-7(2)9(11)10(13)12-8-3-5-14-6-4-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)/t9-/m0/s1
InChIKeyNPIXIFLIVHSGQF-VIFPVBQESA-N
XLogP0.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(oxan-4-yl)pentanamide
CID 43610144
2-amino-4-methyl-N-(oxan-4-yl)pentanamide
CID 43610149
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
2-amino-3-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 119313239
2-(hydroxymethyl)-3-methyl-N-(oxan-4-yl)butanamide
CID 115187200
4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319384
6-amino-2-methyl-N-(oxan-4-yl)heptanamide
CID 65290448
(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
CID 131001553
2-amino-N-[(3S)-3,4-dimethylcyclopentyl]-3-methylbutanamide
CID 142811143
2-methyl-3-(methylamino)-N-(oxan-4-yl)propanamide
CID 79195500
(2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide
CID 131043190
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide (CID 61154415) is (2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide is CC(C)[C@H](N)C(=O)NC1CCOCC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide?
The InChIKey is NPIXIFLIVHSGQF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7(2)9(11)10(13)12-8-3-5-14-6-4-8/h7-9H,3-6,11H2,1-2H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide?
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide is sourced from PubChem (CID 61154415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).