(2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid

C11H16N4O4 — CID 107827257

IUPAC(2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid
SMILESCc1nccc(CNC(=O)N[C@H](CCO)C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-7-12-4-2-8(14-7)6-13-11(19)15-9(3-5-16)10(17)18/h2,4,9,16H,3,5-6H2,1H3,(H,17,18)(H2,13,15,19)/t9-/m1/s1
InChIKeyYEBZCWPEFFZUIL-SECBINFHSA-N
MW268.27 g/mol
LogP-0.58
Rot. Bonds6

About (2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid (PubChem CID 107827257) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid
PubChem CID107827257
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name(2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid
SMILESCc1nccc(CNC(=O)N[C@H](CCO)C(=O)O)n1
InChIInChI=1S/C11H16N4O4/c1-7-12-4-2-8(14-7)6-13-11(19)15-9(3-5-16)10(17)18/h2,4,9,16H,3,5-6H2,1H3,(H,17,18)(H2,13,15,19)/t9-/m1/s1
InChIKeyYEBZCWPEFFZUIL-SECBINFHSA-N
XLogP-0.58
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylbutan-2-yl)-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47328249
(2R)-4-hydroxy-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 107827226
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738
2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid
CID 103241040
(2R)-4-hydroxy-2-[(3-methylthiophen-2-yl)methylcarbamoylamino]butanoic acid
CID 107828406
(2R)-2-(pyrimidin-4-ylmethylcarbamoylamino)pentanoic acid
CID 114111844
(2S)-2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pentanedioic acid
CID 62309110
(2R)-2-[(2-ethylphenyl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828101
(2R)-4-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114126255
4-hydroxy-2-(pyridin-3-ylmethylcarbamoylamino)butanoic acid
CID 61229303

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid (CID 107827257) is (2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid is Cc1nccc(CNC(=O)N[C@H](CCO)C(=O)O)n1.
What is the InChIKey of (2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is YEBZCWPEFFZUIL-SECBINFHSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7-12-4-2-8(14-7)6-13-11(19)15-9(3-5-16)10(17)18/h2,4,9,16H,3,5-6H2,1H3,(H,17,18)(H2,13,15,19)/t9-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 268.27 g/mol, XLogP of -0.58, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107827257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).