2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid

C10H15N3O3 — CID 103116547

IUPAC2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccn(C)n1
InChIInChI=1S/C10H15N3O3/c1-7(2)13(6-9(14)15)10(16)8-4-5-12(3)11-8/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyDIFXGSLYMFKLIB-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.36
Rot. Bonds4

About 2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid

2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 103116547) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID103116547
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)c1ccn(C)n1
InChIInChI=1S/C10H15N3O3/c1-7(2)13(6-9(14)15)10(16)8-4-5-12(3)11-8/h4-5,7H,6H2,1-3H3,(H,14,15)
InChIKeyDIFXGSLYMFKLIB-UHFFFAOYSA-N
XLogP0.36
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-phenyltriazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60830670
2-[(1-methylpyrazole-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 103116999
2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116530
2-(4-hydroxy-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 103116535
2-[benzoyl(propan-2-yl)amino]acetic acid
CID 60830657
2-[(5-fluoropyridine-2-carbonyl)-propan-2-ylamino]acetic acid
CID 104638164
2-[(4-methylbenzoyl)-propan-2-ylamino]acetic acid
CID 60830660
2-[propan-2-yl-(4-pyrrol-1-ylbenzoyl)amino]acetic acid
CID 60831722
2-[(6-oxo-1H-pyridazine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 60832051
2-[(1-methylindazole-3-carbonyl)-propan-2-ylamino]acetic acid
CID 103116549
2-[propan-2-yl-[5-(trifluoromethyl)pyridine-2-carbonyl]amino]acetic acid
CID 115596384
N,N-bis(2-hydroxyethyl)-1-methylpyrazole-3-carboxamide
CID 103915328

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid (CID 103116547) is 2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)c1ccn(C)n1.
What is the InChIKey of 2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is DIFXGSLYMFKLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-7(2)13(6-9(14)15)10(16)8-4-5-12(3)11-8/h4-5,7H,6H2,1-3H3,(H,14,15).
What are the key properties of 2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid?
2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazole-3-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 103116547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).