(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide

C10H21N3O — CID 61465199

IUPAC(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC1CCN(C)C1
InChIInChI=1S/C10H21N3O/c1-7(2)9(11)10(14)12-8-4-5-13(3)6-8/h7-9H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyQJXIBASHGKHCKI-GKAPJAKFSA-N
MW199.30 g/mol
LogP-0.21
Rot. Bonds3

About (2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide

(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide (PubChem CID 61465199) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
PubChem CID61465199
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
SMILESCC(C)[C@H](N)C(=O)NC1CCN(C)C1
InChIInChI=1S/C10H21N3O/c1-7(2)9(11)10(14)12-8-4-5-13(3)6-8/h7-9H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m0/s1
InChIKeyQJXIBASHGKHCKI-GKAPJAKFSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 121226101
(2R)-2-amino-3-methyl-N-(1-methylazetidin-3-yl)butanamide
CID 131043190
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
(2S)-N-(1-acetylpiperidin-4-yl)-2-amino-3-methylbutanamide
CID 61178983
2-(N'-hydroxycarbamimidoyl)-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 76925984
4-amino-5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 64888566
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide
CID 61178441
3-amino-2,2,3-trimethyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 65269836

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide (CID 61465199) is (2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide is CC(C)[C@H](N)C(=O)NC1CCN(C)C1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide?
The InChIKey is QJXIBASHGKHCKI-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)9(11)10(14)12-8-4-5-13(3)6-8/h7-9H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide?
(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide has a molecular weight of 199.30 g/mol, XLogP of -0.21, 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-(1-methylpyrrolidin-3-yl)butanamide is sourced from PubChem (CID 61465199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).