3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid

C12H18N2O2 — CID 110838590

IUPAC3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid
SMILESCC(CC(=O)O)N(C)C(C)c1ccccn1
InChIInChI=1S/C12H18N2O2/c1-9(8-12(15)16)14(3)10(2)11-6-4-5-7-13-11/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyHTFOMXDIYVYXMM-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.94
Rot. Bonds5

About 3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid

3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid (PubChem CID 110838590) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid
PubChem CID110838590
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid
SMILESCC(CC(=O)O)N(C)C(C)c1ccccn1
InChIInChI=1S/C12H18N2O2/c1-9(8-12(15)16)14(3)10(2)11-6-4-5-7-13-11/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyHTFOMXDIYVYXMM-UHFFFAOYSA-N
XLogP1.94
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
4-(diethylamino)-4-oxo-3-pyridin-2-ylbutanoic acid
CID 112516163
2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid
CID 79268256
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
3-chloro-3-pyridin-2-ylpropanoic acid
CID 82366804
2-pyridin-2-ylbutanedioic acid
CID 67462885
3,4-dihydroxy-4-pyridin-2-ylbutanoic acid
CID 171877086
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926
4-methyl-5-phenyl-3-pyridin-2-ylpentanoic acid
CID 54055770

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid?
The IUPAC name of 3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid (CID 110838590) is 3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid?
The canonical SMILES for 3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid is CC(CC(=O)O)N(C)C(C)c1ccccn1.
What is the InChIKey of 3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid?
The InChIKey is HTFOMXDIYVYXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(8-12(15)16)14(3)10(2)11-6-4-5-7-13-11/h4-7,9-10H,8H2,1-3H3,(H,15,16).
What are the key properties of 3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid?
3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid is sourced from PubChem (CID 110838590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).