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

C11H18N4O3 — CID 61198142

IUPAC3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H18N4O3/c1-8(2)15(5-4-10(16)17)11(18)13-9-6-12-14(3)7-9/h6-8H,4-5H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyUTLDMFUUMUEKAB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.14
Rot. Bonds5

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

3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid (PubChem CID 61198142) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
PubChem CID61198142
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
SMILESCC(C)N(CCC(=O)O)C(=O)Nc1cnn(C)c1
InChIInChI=1S/C11H18N4O3/c1-8(2)15(5-4-10(16)17)11(18)13-9-6-12-14(3)7-9/h6-8H,4-5H2,1-3H3,(H,13,18)(H,16,17)
InChIKeyUTLDMFUUMUEKAB-UHFFFAOYSA-N
XLogP1.14
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]pyrazol-1-yl]acetic acid
CID 54994977
3-[(3-ethyl-1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid
CID 107464100
3-[ethyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852836
3-[propan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 61184948
2-[tert-butyl-[(1-methylpyrazol-4-yl)carbamoyl]amino]acetic acid
CID 79256591
4-[(1-methylpyrazol-3-yl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61205269
5-[(1-methylpyrazol-4-yl)amino]pentanoic acid
CID 79778286
6-[(1-methylpyrazol-4-yl)carbamoylamino]-6-oxohexanoic acid
CID 43535239
3-[(1-methylpyrazol-4-yl)sulfamoyl]propanoic acid
CID 43535078
4-[(4-chlorophenyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 60827606
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
4-[(6-methoxy-3-pyridinyl)carbamoyl-propan-2-ylamino]butanoic acid
CID 61186550

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid (CID 61198142) is 3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid is CC(C)N(CCC(=O)O)C(=O)Nc1cnn(C)c1.
What is the InChIKey of 3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid?
The InChIKey is UTLDMFUUMUEKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8(2)15(5-4-10(16)17)11(18)13-9-6-12-14(3)7-9/h6-8H,4-5H2,1-3H3,(H,13,18)(H,16,17).
What are the key properties of 3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid?
3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpyrazol-4-yl)carbamoyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 61198142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).