2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid

C17H23N5O4 — CID 122089926

IUPAC2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
SMILESCCCc1c(NC(=O)NCC(C)(O)C(=O)O)cnn1-c1cc(C)ccn1
InChIInChI=1S/C17H23N5O4/c1-4-5-13-12(21-16(25)19-10-17(3,26)15(23)24)9-20-22(13)14-8-11(2)6-7-18-14/h6-9,26H,4-5,10H2,1-3H3,(H,23,24)(H2,19,21,25)
InChIKeyNTRSSROPLNJACF-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.49
Rot. Bonds7

About 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid

2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid (PubChem CID 122089926) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
PubChem CID122089926
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Name2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid
SMILESCCCc1c(NC(=O)NCC(C)(O)C(=O)O)cnn1-c1cc(C)ccn1
InChIInChI=1S/C17H23N5O4/c1-4-5-13-12(21-16(25)19-10-17(3,26)15(23)24)9-20-22(13)14-8-11(2)6-7-18-14/h6-9,26H,4-5,10H2,1-3H3,(H,23,24)(H2,19,21,25)
InChIKeyNTRSSROPLNJACF-UHFFFAOYSA-N
XLogP1.49
TPSA129.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic 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-methyl-4-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122089922
3-[[1-(3-cyanophenyl)-5-propylpyrazol-4-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122090983
1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]-3-[[(2R)-1-oxaspiro[4.4]nonan-2-yl]methyl]urea
CID 164639040
3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122087413
N-methyl-1-[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]methanamine
CID 66439553
2-hydroxy-2-methyl-3-[(4-methyl-2-propoxyphenyl)carbamoylamino]propanoic acid
CID 122076852
3-[(2-ethoxy-4-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122076836
3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122094505
2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 79044257
4-methyl-4-[[1-(3-methylphenyl)-5-propylpyrazol-4-yl]carbamoylamino]pentanoic acid
CID 122091735
3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
4-[[1-(4-fluorophenyl)-5-propylpyrazol-4-yl]carbamoylamino]butanoic acid
CID 122091567

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid (CID 122089926) is 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid is CCCc1c(NC(=O)NCC(C)(O)C(=O)O)cnn1-c1cc(C)ccn1.
What is the InChIKey of 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid?
The InChIKey is NTRSSROPLNJACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-4-5-13-12(21-16(25)19-10-17(3,26)15(23)24)9-20-22(13)14-8-11(2)6-7-18-14/h6-9,26H,4-5,10H2,1-3H3,(H,23,24)(H2,19,21,25).
What are the key properties of 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid?
2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid has a molecular weight of 361.40 g/mol, XLogP of 1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[[1-(4-methyl-2-pyridinyl)-5-propylpyrazol-4-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 122089926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).