(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid

C11H16N4O5 — CID 107826218

IUPAC(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)Nc1cnn(C)c1)C(=O)O
InChIInChI=1S/C11H16N4O5/c1-15-6-7(5-12-15)13-11(19)14-8(10(17)18)3-4-9(16)20-2/h5-6,8H,3-4H2,1-2H3,(H,17,18)(H2,13,14,19)/t8-/m1/s1
InChIKeyCMBUDKZNCVDXAF-MRVPVSSYSA-N
MW284.27 g/mol
LogP-0.05
Rot. Bonds6

About (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107826218) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107826218
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)Nc1cnn(C)c1)C(=O)O
InChIInChI=1S/C11H16N4O5/c1-15-6-7(5-12-15)13-11(19)14-8(10(17)18)3-4-9(16)20-2/h5-6,8H,3-4H2,1-2H3,(H,17,18)(H2,13,14,19)/t8-/m1/s1
InChIKeyCMBUDKZNCVDXAF-MRVPVSSYSA-N
XLogP-0.05
TPSA122.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-[(1-methylpyrazol-4-yl)carbamoylamino]pentanoic acid
CID 61198130
2-[(1-methylpyrazol-4-yl)carbamoylamino]-3-phenylpropanoic acid
CID 61199623
(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
CID 107265688
(2R)-2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829412
2-[(1-methylpyrazol-4-yl)carbamoylamino]propanoic acid
CID 61199626
(2S)-4-methoxy-4-oxo-2-[(1-propan-2-ylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 63305171
(2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
CID 107829369
3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 61198123
(2R)-3,3-dimethyl-2-[(1-methylpyrazol-4-yl)carbamoylamino]butanoic acid
CID 103927622
(2S)-5-methoxy-2-[(2-methyltetrazol-5-yl)carbamoylamino]-5-oxopentanoic acid
CID 107828539
(2R)-3-hydroxy-2-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]propanoic acid
CID 80756362
3-methoxy-2-[(1-methylpyrazol-4-yl)amino]propanoic acid
CID 103256739

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid (CID 107826218) is (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)Nc1cnn(C)c1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is CMBUDKZNCVDXAF-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-15-6-7(5-12-15)13-11(19)14-8(10(17)18)3-4-9(16)20-2/h5-6,8H,3-4H2,1-2H3,(H,17,18)(H2,13,14,19)/t8-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 284.27 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107826218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).