(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid

C11H23N3O2 — CID 165445053

IUPAC(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
SMILESCN1CCC(N(C)CC[C@@H](N)C(=O)O)CC1
InChIInChI=1S/C11H23N3O2/c1-13-6-3-9(4-7-13)14(2)8-5-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyDXSXNNDVCHRHAO-SNVBAGLBSA-N
MW229.32 g/mol
LogP-0.19
Rot. Bonds5

About (2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid

(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid (PubChem CID 165445053) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is (2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
PubChem CID165445053
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid
SMILESCN1CCC(N(C)CC[C@@H](N)C(=O)O)CC1
InChIInChI=1S/C11H23N3O2/c1-13-6-3-9(4-7-13)14(2)8-5-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyDXSXNNDVCHRHAO-SNVBAGLBSA-N
XLogP-0.19
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[cycloheptyl(methyl)amino]butanoic acid
CID 63055281
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-(propylamino)butanoic acid
CID 55144677
2-amino-4-[methyl(2-pyrrolidin-1-ylethyl)amino]butanoic acid
CID 63211113
2-amino-4-[carboxy-(4-methylpiperazin-1-yl)amino]butanoic acid
CID 67154957
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60779990
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 94166116
1-(4-fluorophenyl)-N'-methyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 62644970
N'-methyl-N'-(1-methylpiperidin-4-yl)-1-phenylbutane-1,4-diamine
CID 63321929
(2S)-2-amino-4-[[4-(dimethylamino)piperidine-1-carbonyl]amino]butanoic acid
CID 67154382
ethyl 2-amino-4-[cyclohexyl(methyl)amino]butanoate
CID 63030150
2-amino-3-(4-methylpiperazin-1-yl)propanoic acid
CID 10611336
4-amino-N,3-dimethyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]butanamide
CID 81086817

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
The IUPAC name of (2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid (CID 165445053) is (2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
The canonical SMILES for (2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid is CN1CCC(N(C)CC[C@@H](N)C(=O)O)CC1.
What is the InChIKey of (2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
The InChIKey is DXSXNNDVCHRHAO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-13-6-3-9(4-7-13)14(2)8-5-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid?
(2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid has a molecular weight of 229.32 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 165445053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).