(2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid

C12H20N4O4 — CID 107828292

IUPAC(2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCc1nn(C)c(C)c1CNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-7-9(8(2)16(3)15-7)6-13-12(20)14-10(4-5-17)11(18)19/h10,17H,4-6H2,1-3H3,(H,18,19)(H2,13,14,20)/t10-/m1/s1
InChIKeyDWHMSNUPBJDCGN-SNVBAGLBSA-N
MW284.32 g/mol
LogP-0.33
Rot. Bonds6

About (2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid (PubChem CID 107828292) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
PubChem CID107828292
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name(2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
SMILESCc1nn(C)c(C)c1CNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H20N4O4/c1-7-9(8(2)16(3)15-7)6-13-12(20)14-10(4-5-17)11(18)19/h10,17H,4-6H2,1-3H3,(H,18,19)(H2,13,14,20)/t10-/m1/s1
InChIKeyDWHMSNUPBJDCGN-SNVBAGLBSA-N
XLogP-0.33
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]propanoate
CID 20964095
(2R)-4-hydroxy-2-[(1-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114126255
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
(2S)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]nonanoic acid
CID 162690079
(2R)-2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-4-hydroxybutanoic acid
CID 107828790
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
(2R)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-hydroxybutanoic acid
CID 107823484
3-hydroxy-3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 79233236
(2S)-4-hydroxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114184301
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719
4-hydroxy-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 54982041

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid (CID 107828292) is (2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid is Cc1nn(C)c(C)c1CNC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid?
The InChIKey is DWHMSNUPBJDCGN-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-7-9(8(2)16(3)15-7)6-13-12(20)14-10(4-5-17)11(18)19/h10,17H,4-6H2,1-3H3,(H,18,19)(H2,13,14,20)/t10-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid has a molecular weight of 284.32 g/mol, XLogP of -0.33, 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-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid is sourced from PubChem (CID 107828292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).