4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid

C9H13N3O4 — CID 62478251

IUPAC4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
SMILESCOCCC(NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-16-3-2-7(9(14)15)12-8(13)6-4-10-11-5-6/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyFHDFBKZTBRDZTF-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.37
Rot. Bonds6

About 4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid

4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid (PubChem CID 62478251) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
PubChem CID62478251
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid
SMILESCOCCC(NC(=O)c1cn[nH]c1)C(=O)O
InChIInChI=1S/C9H13N3O4/c1-16-3-2-7(9(14)15)12-8(13)6-4-10-11-5-6/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKeyFHDFBKZTBRDZTF-UHFFFAOYSA-N
XLogP-0.37
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-(1H-pyrazole-4-carbonylamino)pentanoic acid
CID 81076977
2-[(4-fluorobenzoyl)amino]-4-methoxybutanoic acid
CID 62478213
2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62480168
4-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)butanoic acid
CID 55075853
2-[(5-fluoropyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 104785549
2-[(4-tert-butylbenzoyl)amino]-4-methoxybutanoic acid
CID 62478568
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
4-methoxy-2-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 62480545
2-[(5-bromo-6-oxo-1H-pyridine-3-carbonyl)amino]-4-methoxybutanoic acid
CID 120702140
2-methyl-4-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 80538314
2-[(2-fluoropyridine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 114036636
(2S)-3,3-dimethyl-2-(1H-pyrazole-4-carbonylamino)butanoic acid
CID 61144659

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid?
The IUPAC name of 4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid (CID 62478251) is 4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid.
What is the SMILES notation for 4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid?
The canonical SMILES for 4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid is COCCC(NC(=O)c1cn[nH]c1)C(=O)O.
What is the InChIKey of 4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid?
The InChIKey is FHDFBKZTBRDZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-16-3-2-7(9(14)15)12-8(13)6-4-10-11-5-6/h4-5,7H,2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid?
4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(1H-pyrazole-4-carbonylamino)butanoic acid is sourced from PubChem (CID 62478251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).