4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid

C12H20N4O3 — CID 61205269

IUPAC4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H20N4O3/c1-9(2)16(7-4-5-11(17)18)12(19)13-10-6-8-15(3)14-10/h6,8-9H,4-5,7H2,1-3H3,(H,17,18)(H,13,14,19)
InChIKeyUUOOZFVHHRYODG-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.53
Rot. Bonds6

About 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid

4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid (PubChem CID 61205269) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
PubChem CID61205269
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)Nc1ccn(C)n1
InChIInChI=1S/C12H20N4O3/c1-9(2)16(7-4-5-11(17)18)12(19)13-10-6-8-15(3)14-10/h6,8-9H,4-5,7H2,1-3H3,(H,17,18)(H,13,14,19)
InChIKeyUUOOZFVHHRYODG-UHFFFAOYSA-N
XLogP1.53
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-chlorophenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 60827606
6-[(1-methylpyrazol-3-yl)carbamoylamino]-6-oxohexanoic acid
CID 60809333
4-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 115991292
3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 61198142
2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
CID 55007522
2-[(1-methylpyrazol-3-yl)carbamoyl-propylamino]acetic acid
CID 61203959
4-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61200589
4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61186550
2-[(2-amino-2-oxoethyl)-[(1-methylpyrazol-3-yl)carbamoyl]amino]acetic acid
CID 107438074
4-[(3-bromo-2-methylphenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 107627216
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 107464100
4-[(3-methyl-4-pyridinyl)methylcarbamoyl-propan-2-ylamino]butanoic acid
CID 114701344

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid (CID 61205269) is 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)Nc1ccn(C)n1.
What is the InChIKey of 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
The InChIKey is UUOOZFVHHRYODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-9(2)16(7-4-5-11(17)18)12(19)13-10-6-8-15(3)14-10/h6,8-9H,4-5,7H2,1-3H3,(H,17,18)(H,13,14,19).
What are the key properties of 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid?
4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid has a molecular weight of 268.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 61205269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).