3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid

C10H15N3O3 — CID 591989

IUPAC3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid
SMILESCCC(C)C(Nc1ccnc(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-6(2)8(9(14)15)12-7-4-5-11-10(16)13-7/h4-6,8H,3H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyMJWXTXFBHYPRFA-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.68
Rot. Bonds5

About 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid

3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid (PubChem CID 591989) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid
PubChem CID591989
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid
SMILESCCC(C)C(Nc1ccnc(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H15N3O3/c1-3-6(2)8(9(14)15)12-7-4-5-11-10(16)13-7/h4-6,8H,3H2,1-2H3,(H,14,15)(H2,11,12,13,16)
InChIKeyMJWXTXFBHYPRFA-UHFFFAOYSA-N
XLogP0.68
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypyrimid-4-yl)valine
CID 13988999
N-(2-hydroxy-5-iodopyrimid-4-yl)leucine
CID 129782878
N-(5-fluoro-2-oxo-2,3-dihydropyrimidin-4-yl)valine
CID 66485419
(2S)-2-[(5-fluoro-2-oxo-1H-pyrimidin-6-yl)amino]-3-methylbutanoic acid
CID 97996793
(2R)-2-[(5-fluoro-2-oxo-1H-pyrimidin-6-yl)amino]-3-methylbutanoic acid
CID 97996794
4-[(1-Carboxy-2-methylpropyl)amino]-2(1H)-pyrimidinone
CID 591988
Methyl 2[(1H-2-oxo-4-pyrimidinyl)amino]-isopentanoate
CID 592141
4-[(1-Carboxy-3-methylbutyl)amino]-2(1H)-pyrimidinone
CID 596394
Methyl 2-[(1H-2-oxo-4-pyrimidinyl)amino]-isohexanoate
CID 602074
3-methyl-2-(2H-pyrimidine-1-carbonylamino)butanoic acid
CID 149838915
1-[(2-Methyl-1,2-dihydropyrimidin-6-yl)amino]cyclobutane-1-carboxylic acid
CID 163746915
2-[3-(6-amino-2-oxo-1H-pyrimidin-3-ium-3-yl)propanoylamino]-3-methylpentanoic acid
CID 5260148

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid (CID 591989) is 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid is CCC(C)C(Nc1ccnc(=O)[nH]1)C(=O)O.
What is the InChIKey of 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid?
The InChIKey is MJWXTXFBHYPRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-6(2)8(9(14)15)12-7-4-5-11-10(16)13-7/h4-6,8H,3H2,1-2H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid?
3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-oxo-1H-pyrimidin-6-yl)amino]pentanoic acid is sourced from PubChem (CID 591989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).