2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid

C12H19N3O2 — CID 115529611

IUPAC2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
SMILESCc1nccc(CN(CC(=O)O)CC(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-9(2)6-15(8-12(16)17)7-11-4-5-13-10(3)14-11/h4-5,9H,6-8H2,1-3H3,(H,16,17)
InChIKeyBYUSXKINCLNBIF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.33
Rot. Bonds6

About 2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid

2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid (PubChem CID 115529611) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
PubChem CID115529611
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
SMILESCc1nccc(CN(CC(=O)O)CC(C)C)n1
InChIInChI=1S/C12H19N3O2/c1-9(2)6-15(8-12(16)17)7-11-4-5-13-10(3)14-11/h4-5,9H,6-8H2,1-3H3,(H,16,17)
InChIKeyBYUSXKINCLNBIF-UHFFFAOYSA-N
XLogP1.33
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyrimidin-4-yl)methyl-prop-2-enylamino]acetic acid
CID 115529713
3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 115529580
2-[cyclopentyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid
CID 115529556
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
2-[2-methylpropyl(quinolin-4-ylmethyl)amino]acetic acid
CID 65063950
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605712
2-[2-methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetic acid
CID 107044919
2-methyl-4-(3-methylbutyl)pyrimidine
CID 143330492
2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064159
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid
CID 61015669
2-[(2,4-dihydroxyphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 65064243

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid (CID 115529611) is 2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid is Cc1nccc(CN(CC(=O)O)CC(C)C)n1.
What is the InChIKey of 2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid?
The InChIKey is BYUSXKINCLNBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9(2)6-15(8-12(16)17)7-11-4-5-13-10(3)14-11/h4-5,9H,6-8H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid?
2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid has a molecular weight of 237.30 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[(2-methylpyrimidin-4-yl)methyl]amino]acetic acid is sourced from PubChem (CID 115529611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).