(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid

C13H19N3O5 — CID 107820677

IUPAC(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-7-11(8(2)16(3)15-7)12(18)14-9(13(19)20)5-6-10(17)21-4/h9H,5-6H2,1-4H3,(H,14,18)(H,19,20)/t9-/m1/s1
InChIKeyXTBCXFLSXVTXFT-SECBINFHSA-N
MW297.31 g/mol
LogP0.17
Rot. Bonds6

About (2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid

(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid (PubChem CID 107820677) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid
PubChem CID107820677
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)c1c(C)nn(C)c1C)C(=O)O
InChIInChI=1S/C13H19N3O5/c1-7-11(8(2)16(3)15-7)12(18)14-9(13(19)20)5-6-10(17)21-4/h9H,5-6H2,1-4H3,(H,14,18)(H,19,20)/t9-/m1/s1
InChIKeyXTBCXFLSXVTXFT-SECBINFHSA-N
XLogP0.17
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820399
2-methyl-6-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]heptanoic acid
CID 65285303
(2S)-5-methoxy-2-[(4-methylthiadiazole-5-carbonyl)amino]-5-oxopentanoic acid
CID 107820329
(2S)-2-[(2,5-dimethylpyrazole-3-carbonyl)amino]-5-ethoxy-5-oxopentanoic acid
CID 107039125
(2R)-2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829412
(2S)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820162
(2R)-2-[(2,6-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820571
(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820929
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
(2S)-2-benzamido-5-methoxy-5-oxopentanoic acid
CID 10923432
N-(5-chloropentan-2-yl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 114305784
5-methoxy-5-oxo-2-(pyrazine-2-carbonylamino)pentanoic acid
CID 82786676

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid (CID 107820677) is (2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid is COC(=O)CC[C@@H](NC(=O)c1c(C)nn(C)c1C)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid?
The InChIKey is XTBCXFLSXVTXFT-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-7-11(8(2)16(3)15-7)12(18)14-9(13(19)20)5-6-10(17)21-4/h9H,5-6H2,1-4H3,(H,14,18)(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid?
(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107820677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).