(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid

C12H17N3O5 — CID 107820399

IUPAC(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)c1c(C)n[nH]c1C)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-6-10(7(2)15-14-6)11(17)13-8(12(18)19)4-5-9(16)20-3/h8H,4-5H2,1-3H3,(H,13,17)(H,14,15)(H,18,19)/t8-/m0/s1
InChIKeyIPYARGJVHGTGDY-QMMMGPOBSA-N
MW283.28 g/mol
LogP0.16
Rot. Bonds6

About (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid

(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 107820399) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID107820399
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)c1c(C)n[nH]c1C)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-6-10(7(2)15-14-6)11(17)13-8(12(18)19)4-5-9(16)20-3/h8H,4-5H2,1-3H3,(H,13,17)(H,14,15)(H,18,19)/t8-/m0/s1
InChIKeyIPYARGJVHGTGDY-QMMMGPOBSA-N
XLogP0.16
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic 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

2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 82780288
(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 107820677
5-methoxy-2-[(5-methyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786590
(2R)-4-amino-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-4-oxobutanoic acid
CID 114004747
6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylheptanoic acid
CID 65286168
2-[(5-ethyl-1H-1,2,4-triazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786211
(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107820329
(2S)-5-methoxy-5-oxo-2-(1H-pyrazole-5-carbonylamino)pentanoic acid
CID 107820339
(2R)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820571
(2S)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820162
(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820929
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43583226

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (CID 107820399) is (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@H](NC(=O)c1c(C)n[nH]c1C)C(=O)O.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is IPYARGJVHGTGDY-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-6-10(7(2)15-14-6)11(17)13-8(12(18)19)4-5-9(16)20-3/h8H,4-5H2,1-3H3,(H,13,17)(H,14,15)(H,18,19)/t8-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 283.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107820399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).