3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid

C11H18N4O4 — CID 61460931

IUPAC3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
SMILESCC(Cn1cccn1)NC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H18N4O4/c1-7(6-15-5-3-4-12-15)13-11(19)14-9(8(2)16)10(17)18/h3-5,7-9,16H,6H2,1-2H3,(H,17,18)(H2,13,14,19)
InChIKeyOQEHTYUWVNPGLO-UHFFFAOYSA-N
MW270.29 g/mol
LogP-0.60
Rot. Bonds6

About 3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid

3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid (PubChem CID 61460931) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
PubChem CID61460931
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
SMILESCC(Cn1cccn1)NC(=O)NC(C(=O)O)C(C)O
InChIInChI=1S/C11H18N4O4/c1-7(6-15-5-3-4-12-15)13-11(19)14-9(8(2)16)10(17)18/h3-5,7-9,16H,6H2,1-2H3,(H,17,18)(H2,13,14,19)
InChIKeyOQEHTYUWVNPGLO-UHFFFAOYSA-N
XLogP-0.60
TPSA116.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
(E)-4-oxo-4-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 109374295
(2S,3R)-2-(butan-2-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 104965693
(2S)-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-3-methylbutanoic acid
CID 61480675
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
2-[2-oxo-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)ethoxy]acetic acid
CID 61460963
1-[(2S)-1-pyrazol-1-ylpropan-2-yl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 97087982
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
1-(4-methylphenyl)-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94116600
1-(1-pyrazol-1-ylpropan-2-yl)-3-pyridin-2-ylurea
CID 47250982
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[(2S)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94163440
2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 62854654

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid (CID 61460931) is 3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid is CC(Cn1cccn1)NC(=O)NC(C(=O)O)C(C)O.
What is the InChIKey of 3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is OQEHTYUWVNPGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-7(6-15-5-3-4-12-15)13-11(19)14-9(8(2)16)10(17)18/h3-5,7-9,16H,6H2,1-2H3,(H,17,18)(H2,13,14,19).
What are the key properties of 3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid?
3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 270.29 g/mol, XLogP of -0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 61460931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).