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

C11H23N3O — CID 79314315

IUPAC(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)N(C)CC1CCCN1C
InChIInChI=1S/C11H23N3O/c1-4-10(12)11(15)14(3)8-9-6-5-7-13(9)2/h9-10H,4-8,12H2,1-3H3/t9?,10-/m0/s1
InChIKeyWSLDMAMTKPYXAD-AXDSSHIGSA-N
MW213.32 g/mol
LogP0.28
Rot. Bonds4

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

(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide (PubChem CID 79314315) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
PubChem CID79314315
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)N(C)CC1CCCN1C
InChIInChI=1S/C11H23N3O/c1-4-10(12)11(15)14(3)8-9-6-5-7-13(9)2/h9-10H,4-8,12H2,1-3H3/t9?,10-/m0/s1
InChIKeyWSLDMAMTKPYXAD-AXDSSHIGSA-N
XLogP0.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]propanamide
CID 121226107
2-amino-5-methoxy-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 81101601
N,2-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]propanamide
CID 79312888
(2S)-2-amino-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]propanamide
CID 96553417
(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934
2-carbamothioyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 79313782
1-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]-3-propan-2-ylurea
CID 116656611
2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-oxoacetic acid
CID 79315922
2-(butan-2-ylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]acetamide
CID 79314481
2-amino-N-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-N-propan-2-ylpropanamide
CID 121226117
1-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 79314821

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide (CID 79314315) is (2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide is CC[C@H](N)C(=O)N(C)CC1CCCN1C.
What is the InChIKey of (2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide?
The InChIKey is WSLDMAMTKPYXAD-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-10(12)11(15)14(3)8-9-6-5-7-13(9)2/h9-10H,4-8,12H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide?
(2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide has a molecular weight of 213.32 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide is sourced from PubChem (CID 79314315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).