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

C11H23N3O — CID 79023299

IUPAC(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCC1CCCCN1C
InChIInChI=1S/C11H23N3O/c1-3-10(12)11(15)13-8-9-6-4-5-7-14(9)2/h9-10H,3-8,12H2,1-2H3,(H,13,15)/t9?,10-/m0/s1
InChIKeyDZDQMAPHMMXFEZ-AXDSSHIGSA-N
MW213.32 g/mol
LogP0.32
Rot. Bonds4

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

(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide (PubChem CID 79023299) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
PubChem CID79023299
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
SMILESCC[C@H](N)C(=O)NCC1CCCCN1C
InChIInChI=1S/C11H23N3O/c1-3-10(12)11(15)13-8-9-6-4-5-7-14(9)2/h9-10H,3-8,12H2,1-2H3,(H,13,15)/t9?,10-/m0/s1
InChIKeyDZDQMAPHMMXFEZ-AXDSSHIGSA-N
XLogP0.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 76923658
N-[(1-methylpiperidin-2-yl)methyl]-2-sulfanylpropanamide
CID 107027013
2-amino-N-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 103630194
2-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]pentanamide
CID 106024201
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
CID 103244493
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
2-(3-aminocyclohexyl)-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 106592824
(2S)-2-amino-N-[(1-methylpiperidin-4-yl)methyl]butanamide;dihydrochloride
CID 119866906
3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-sulfanylbutanamide
CID 106024016
(2S)-2-amino-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 79025416
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
methyl 2-amino-3-(1-methylpiperidin-2-yl)propanoate
CID 83982223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide (CID 79023299) is (2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide is CC[C@H](N)C(=O)NCC1CCCCN1C.
What is the InChIKey of (2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide?
The InChIKey is DZDQMAPHMMXFEZ-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-10(12)11(15)13-8-9-6-4-5-7-14(9)2/h9-10H,3-8,12H2,1-2H3,(H,13,15)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide?
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide has a molecular weight of 213.32 g/mol, XLogP of 0.32, 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-methylpiperidin-2-yl)methyl]butanamide is sourced from PubChem (CID 79023299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).