2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid

C11H17N3O3 — CID 112636067

IUPAC2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
SMILESCC(C)Oc1ccnc(NCC(C)C(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-7(2)17-9-4-5-12-11(14-9)13-6-8(3)10(15)16/h4-5,7-8H,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyWZHATDITGMMOSU-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.40
Rot. Bonds6

About 2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid

2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid (PubChem CID 112636067) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
PubChem CID112636067
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Name2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
SMILESCC(C)Oc1ccnc(NCC(C)C(=O)O)n1
InChIInChI=1S/C11H17N3O3/c1-7(2)17-9-4-5-12-11(14-9)13-6-8(3)10(15)16/h4-5,7-8H,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyWZHATDITGMMOSU-UHFFFAOYSA-N
XLogP1.40
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
CID 112636210
2-methyl-3-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112634458
3-methoxy-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636213
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N-ethyl-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636787
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115974164
N-(2-chloro-2-cyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639309
N-(2-chloro-4,4-dimethylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 107156071
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid (CID 112636067) is 2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid is CC(C)Oc1ccnc(NCC(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid?
The InChIKey is WZHATDITGMMOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)17-9-4-5-12-11(14-9)13-6-8(3)10(15)16/h4-5,7-8H,6H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid?
2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid has a molecular weight of 239.28 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 112636067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).