2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid

C12H18N2O2 — CID 79261215

IUPAC2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid
SMILESCc1cccc(CN(CC(=O)O)C(C)C)n1
InChIInChI=1S/C12H18N2O2/c1-9(2)14(8-12(15)16)7-11-6-4-5-10(3)13-11/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyWNIUDDVQVGBBRK-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.69
Rot. Bonds5

About 2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid

2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid (PubChem CID 79261215) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid
PubChem CID79261215
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid
SMILESCc1cccc(CN(CC(=O)O)C(C)C)n1
InChIInChI=1S/C12H18N2O2/c1-9(2)14(8-12(15)16)7-11-6-4-5-10(3)13-11/h4-6,9H,7-8H2,1-3H3,(H,15,16)
InChIKeyWNIUDDVQVGBBRK-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]ethanol
CID 79261151
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-N-propan-2-ylpropan-1-amine
CID 23588532
N-(2-chloroethyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 79260631
CID 131847838
CID 131847838
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
4-amino-N,N-bis[(6-methyl-2-pyridinyl)methyl]pentanamide;trihydrochloride
CID 120566072
2-[(2-tert-butyl-1,3-thiazol-4-yl)methyl-propan-2-ylamino]acetic acid
CID 60839641
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951
2-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-1-phenylethanone
CID 14590944
2,2-dimethyl-3-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-oxopropanoic acid
CID 82820939
methyl 2-[(6-chloro-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 79047597

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid (CID 79261215) is 2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid is Cc1cccc(CN(CC(=O)O)C(C)C)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid?
The InChIKey is WNIUDDVQVGBBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(2)14(8-12(15)16)7-11-6-4-5-10(3)13-11/h4-6,9H,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid?
2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid has a molecular weight of 222.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 79261215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).