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

C11H18N4O3 — CID 54951710

IUPAC2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NC(C)Cn1cccn1)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-9(10(16)17)14-11(18)13-8(2)7-15-6-4-5-12-15/h4-6,8-9H,3,7H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeySHDSBHPNYYKFBW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.43
Rot. Bonds6

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

2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid (PubChem CID 54951710) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
PubChem CID54951710
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
SMILESCCC(NC(=O)NC(C)Cn1cccn1)C(=O)O
InChIInChI=1S/C11H18N4O3/c1-3-9(10(16)17)14-11(18)13-8(2)7-15-6-4-5-12-15/h4-6,8-9H,3,7H2,1-2H3,(H,16,17)(H2,13,14,18)
InChIKeySHDSBHPNYYKFBW-UHFFFAOYSA-N
XLogP0.43
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 61460931
2-methyl-3-(1-pyrazol-1-ylpropan-2-ylamino)propanoic acid
CID 61462644
(E)-4-oxo-4-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)but-2-enoic acid
CID 109374295
2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 62854654
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-[1-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64702045
2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)pentanedioic acid
CID 61481106

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid?
The IUPAC name of 2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid (CID 54951710) is 2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid.
What is the SMILES notation for 2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid?
The canonical SMILES for 2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid is CCC(NC(=O)NC(C)Cn1cccn1)C(=O)O.
What is the InChIKey of 2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid?
The InChIKey is SHDSBHPNYYKFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-9(10(16)17)14-11(18)13-8(2)7-15-6-4-5-12-15/h4-6,8-9H,3,7H2,1-2H3,(H,16,17)(H2,13,14,18).
What are the key properties of 2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid?
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid is sourced from PubChem (CID 54951710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).