4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid

C10H15N3O3 — CID 62904061

IUPAC4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
SMILESCC(C)n1cc(NC(=O)CCC(=O)O)cn1
InChIInChI=1S/C10H15N3O3/c1-7(2)13-6-8(5-11-13)12-9(14)3-4-10(15)16/h5-7H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyAXQCIWJAROMMMO-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.27
Rot. Bonds5

About 4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid

4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid (PubChem CID 62904061) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
PubChem CID62904061
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
SMILESCC(C)n1cc(NC(=O)CCC(=O)O)cn1
InChIInChI=1S/C10H15N3O3/c1-7(2)13-6-8(5-11-13)12-9(14)3-4-10(15)16/h5-7H,3-4H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyAXQCIWJAROMMMO-UHFFFAOYSA-N
XLogP1.27
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62903409
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060
3-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 86883901
2,2-dimethyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62999988
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
2-[tert-butyl-[(1-propan-2-ylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79257269
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
2-bromo-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 62904075

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid?
The IUPAC name of 4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid (CID 62904061) is 4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid is CC(C)n1cc(NC(=O)CCC(=O)O)cn1.
What is the InChIKey of 4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid?
The InChIKey is AXQCIWJAROMMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)13-6-8(5-11-13)12-9(14)3-4-10(15)16/h5-7H,3-4H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid?
4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid has a molecular weight of 225.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid is sourced from PubChem (CID 62904061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).