2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid

C13H20N2O2 — CID 112650859

IUPAC2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
SMILESCc1cccnc1CN(CC(=O)O)CC(C)C
InChIInChI=1S/C13H20N2O2/c1-10(2)7-15(9-13(16)17)8-12-11(3)5-4-6-14-12/h4-6,10H,7-9H2,1-3H3,(H,16,17)
InChIKeyMTUWCSZSWORXOO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.93
Rot. Bonds6

About 2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid

2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid (PubChem CID 112650859) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
PubChem CID112650859
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
SMILESCc1cccnc1CN(CC(=O)O)CC(C)C
InChIInChI=1S/C13H20N2O2/c1-10(2)7-15(9-13(16)17)8-12-11(3)5-4-6-14-12/h4-6,10H,7-9H2,1-3H3,(H,16,17)
InChIKeyMTUWCSZSWORXOO-UHFFFAOYSA-N
XLogP1.93
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529611
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63065383
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 55148594
2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 112650853
2-[2-methylpropyl-[(3-oxo-4H-quinoxalin-2-yl)methyl]amino]acetic acid
CID 63066089
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
CID 146479339
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
CID 115982199
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
CID 55075613

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid (CID 112650859) is 2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid is Cc1cccnc1CN(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid?
The InChIKey is MTUWCSZSWORXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)7-15(9-13(16)17)8-12-11(3)5-4-6-14-12/h4-6,10H,7-9H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid?
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid has a molecular weight of 236.31 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid is sourced from PubChem (CID 112650859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).