5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid

C12H18N4O4 — CID 62903409

IUPAC5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
SMILESCC(C)n1cc(NC(=O)NC(=O)CCCC(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-8(2)16-7-9(6-13-16)14-12(20)15-10(17)4-3-5-11(18)19/h6-8H,3-5H2,1-2H3,(H,18,19)(H2,14,15,17,20)
InChIKeyCICLXUYJYWZIID-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.37
Rot. Bonds6

About 5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid

5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid (PubChem CID 62903409) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
PubChem CID62903409
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
SMILESCC(C)n1cc(NC(=O)NC(=O)CCCC(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-8(2)16-7-9(6-13-16)14-12(20)15-10(17)4-3-5-11(18)19/h6-8H,3-5H2,1-2H3,(H,18,19)(H2,14,15,17,20)
InChIKeyCICLXUYJYWZIID-UHFFFAOYSA-N
XLogP1.37
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-4-[(1-propan-2-ylpyrazol-4-yl)amino]butanoic acid
CID 62904061
6-[(1-methylpyrazol-4-yl)carbamoylamino]-6-oxohexanoic acid
CID 43535239
4-hydroxy-N-(1-propan-2-ylpyrazol-4-yl)butanamide
CID 79192619
(2R)-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 78918579
2-[(1-propan-2-ylpyrazol-4-yl)amino]acetic acid
CID 154882060
3-(ethylamino)-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62904261
(2S,3S)-3-methyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 62902522
N-(1-propan-2-ylpyrazol-4-yl)but-2-enamide
CID 78920031
3-amino-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62903579
3,3-dimethyl-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904639
2-anilino-N-(1-propan-2-ylpyrazol-4-yl)acetamide
CID 55132216
4-amino-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 62904110

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid (CID 62903409) is 5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid is CC(C)n1cc(NC(=O)NC(=O)CCCC(=O)O)cn1.
What is the InChIKey of 5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid?
The InChIKey is CICLXUYJYWZIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-8(2)16-7-9(6-13-16)14-12(20)15-10(17)4-3-5-11(18)19/h6-8H,3-5H2,1-2H3,(H,18,19)(H2,14,15,17,20).
What are the key properties of 5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid?
5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid has a molecular weight of 282.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 62903409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).