2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid

C11H16N4O3 — CID 62675666

IUPAC2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
SMILESCC(CNC(=O)CN(C)c1ncccn1)C(=O)O
InChIInChI=1S/C11H16N4O3/c1-8(10(17)18)6-14-9(16)7-15(2)11-12-4-3-5-13-11/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyONAZBHLKCCJNJW-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.25
Rot. Bonds6

About 2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid

2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid (PubChem CID 62675666) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
PubChem CID62675666
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
SMILESCC(CNC(=O)CN(C)c1ncccn1)C(=O)O
InChIInChI=1S/C11H16N4O3/c1-8(10(17)18)6-14-9(16)7-15(2)11-12-4-3-5-13-11/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyONAZBHLKCCJNJW-UHFFFAOYSA-N
XLogP-0.25
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842
2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide
CID 106164955
N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 43500389
[2-(2-methylpropylamino)-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 43063495
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 113313381
6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]hexanoic acid
CID 43352886
N-(4-hydroxypentan-2-yl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 113376515
2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457446
2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid
CID 63931363
2-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 55105026
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64530410

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid (CID 62675666) is 2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid is CC(CNC(=O)CN(C)c1ncccn1)C(=O)O.
What is the InChIKey of 2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid?
The InChIKey is ONAZBHLKCCJNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8(10(17)18)6-14-9(16)7-15(2)11-12-4-3-5-13-11/h3-5,8H,6-7H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid?
2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid has a molecular weight of 252.27 g/mol, XLogP of -0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 62675666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).