(2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide

C9H19N3O — CID 131043190

IUPAC(2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide
SMILESCC(C)[C@@H](N)C(=O)NC1CN(C)C1
InChIInChI=1S/C9H19N3O/c1-6(2)8(10)9(13)11-7-4-12(3)5-7/h6-8H,4-5,10H2,1-3H3,(H,11,13)/t8-/m1/s1
InChIKeyNCORMFVTGVSBRF-MRVPVSSYSA-N
MW185.27 g/mol
LogP-0.60
Rot. Bonds3

About (2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide

(2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide (PubChem CID 131043190) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is (2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide
PubChem CID131043190
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name(2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide
SMILESCC(C)[C@@H](N)C(=O)NC1CN(C)C1
InChIInChI=1S/C9H19N3O/c1-6(2)8(10)9(13)11-7-4-12(3)5-7/h6-8H,4-5,10H2,1-3H3,(H,11,13)/t8-/m1/s1
InChIKeyNCORMFVTGVSBRF-MRVPVSSYSA-N
XLogP-0.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199
(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
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
(2S)-2-amino-3-methyl-N-(oxan-4-yl)butanamide
CID 61154415
2-amino-N-(1,1-dioxothiolan-3-yl)-3-methylbutanamide
CID 24698207
2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
2-amino-3-methyl-N-(thian-4-yl)butanamide;hydrochloride
CID 119313239
propan-2-yl N-(1-methylazetidin-3-yl)carbamate
CID 131006466
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
4-[(2-amino-3-methylbutanoyl)amino]cyclohexane-1-carboxamide;hydrochloride
CID 119319384
(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide
CID 61178441

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide?
The IUPAC name of (2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide (CID 131043190) is (2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide.
What is the SMILES notation for (2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide?
The canonical SMILES for (2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide is CC(C)[C@@H](N)C(=O)NC1CN(C)C1.
What is the InChIKey of (2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide?
The InChIKey is NCORMFVTGVSBRF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-6(2)8(10)9(13)11-7-4-12(3)5-7/h6-8H,4-5,10H2,1-3H3,(H,11,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide?
(2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide has a molecular weight of 185.27 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide is sourced from PubChem (CID 131043190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).