(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid

C10H16N4O4 — CID 114251144

IUPAC(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid
SMILESCC(C)n1ccc(NC(=O)N[C@H](CO)C(=O)O)n1
InChIInChI=1S/C10H16N4O4/c1-6(2)14-4-3-8(13-14)12-10(18)11-7(5-15)9(16)17/h3-4,6-7,15H,5H2,1-2H3,(H,16,17)(H2,11,12,13,18)/t7-/m1/s1
InChIKeyFKXFLHNEDRXVFR-SSDOTTSWSA-N
MW256.26 g/mol
LogP0.03
Rot. Bonds5

About (2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid

(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid (PubChem CID 114251144) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid
PubChem CID114251144
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid
SMILESCC(C)n1ccc(NC(=O)N[C@H](CO)C(=O)O)n1
InChIInChI=1S/C10H16N4O4/c1-6(2)14-4-3-8(13-14)12-10(18)11-7(5-15)9(16)17/h3-4,6-7,15H,5H2,1-2H3,(H,16,17)(H2,11,12,13,18)/t7-/m1/s1
InChIKeyFKXFLHNEDRXVFR-SSDOTTSWSA-N
XLogP0.03
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-methyl-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 114251131
tert-butyl N-[1-hydroxy-3-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propan-2-yl]carbamate
CID 138047938
(2S)-4-amino-2-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 63717738
2-[(1-propan-2-ylpyrazol-3-yl)amino]acetic acid
CID 130495843
(2R)-2-[(1-methylpyrazol-3-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902353
2-bromo-N-(1-propan-2-ylpyrazol-3-yl)butanamide
CID 130495798
phenyl N-(1-propan-2-ylpyrazol-3-yl)carbamate
CID 59394412
(2R)-2-[(1-ethylpyrazol-3-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 114251107
(2S)-3-hydroxy-2-(1-phenylethylcarbamoylamino)propanoic acid
CID 61189105
2-methyl-4-(1-propan-2-ylpyrazol-3-yl)butanoic acid
CID 81009367
2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107601798
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61191039

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid (CID 114251144) is (2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid is CC(C)n1ccc(NC(=O)N[C@H](CO)C(=O)O)n1.
What is the InChIKey of (2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid?
The InChIKey is FKXFLHNEDRXVFR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-6(2)14-4-3-8(13-14)12-10(18)11-7(5-15)9(16)17/h3-4,6-7,15H,5H2,1-2H3,(H,16,17)(H2,11,12,13,18)/t7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid?
(2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid has a molecular weight of 256.26 g/mol, XLogP of 0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(1-propan-2-ylpyrazol-3-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 114251144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).