(2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid

C11H16N4O6 — CID 107829628

IUPAC(2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCOc1cc(OC)nc(NC(=O)N[C@H](CCO)C(=O)O)n1
InChIInChI=1S/C11H16N4O6/c1-20-7-5-8(21-2)14-10(13-7)15-11(19)12-6(3-4-16)9(17)18/h5-6,16H,3-4H2,1-2H3,(H,17,18)(H2,12,13,14,15,19)/t6-/m1/s1
InChIKeyWVNCXOGENNCHPQ-ZCFIWIBFSA-N
MW300.27 g/mol
LogP-0.55
Rot. Bonds7

About (2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 107829628) has the molecular formula C11H16N4O6 and a molecular weight of 300.27 g/mol. Its IUPAC name is (2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID107829628
Molecular FormulaC11H16N4O6
Molecular Weight300.27 g/mol
Exact Mass300.11
IUPAC Name(2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCOc1cc(OC)nc(NC(=O)N[C@H](CCO)C(=O)O)n1
InChIInChI=1S/C11H16N4O6/c1-20-7-5-8(21-2)14-10(13-7)15-11(19)12-6(3-4-16)9(17)18/h5-6,16H,3-4H2,1-2H3,(H,17,18)(H2,12,13,14,15,19)/t6-/m1/s1
InChIKeyWVNCXOGENNCHPQ-ZCFIWIBFSA-N
XLogP-0.55
TPSA142.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]pentanoic acid
CID 107629256
(2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 107602057
(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 107823889
1-(4,6-dimethoxypyrimidin-2-yl)-3-hydroxyurea
CID 134822106
(2R)-2-[(3-acetamidophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825806
(2R)-2-[(4-chloro-3-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829616
(2S)-2-[(4-cyano-2-methoxyphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828943
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-4-oxobutanoic acid
CID 107624804
N-(4,6-dimethoxypyrimidin-2-yl)-3-oxobutanamide
CID 117058957
3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid
CID 107602108
(2S)-2-[(4-bromophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825877

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid (CID 107829628) is (2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid is COc1cc(OC)nc(NC(=O)N[C@H](CCO)C(=O)O)n1.
What is the InChIKey of (2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is WVNCXOGENNCHPQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H16N4O6/c1-20-7-5-8(21-2)14-10(13-7)15-11(19)12-6(3-4-16)9(17)18/h5-6,16H,3-4H2,1-2H3,(H,17,18)(H2,12,13,14,15,19)/t6-/m1/s1.
What are the key properties of (2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 300.27 g/mol, XLogP of -0.55, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107829628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).