(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid

C13H17N3O5 — CID 107265688

IUPAC(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)Nc1ccc(C)nc1)C(=O)O
InChIInChI=1S/C13H17N3O5/c1-8-3-4-9(7-14-8)15-13(20)16-10(12(18)19)5-6-11(17)21-2/h3-4,7,10H,5-6H2,1-2H3,(H,18,19)(H2,15,16,20)/t10-/m0/s1
InChIKeySBUGNKDZYXITKV-JTQLQIEISA-N
MW295.30 g/mol
LogP0.92
Rot. Bonds6

About (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid

(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107265688) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107265688
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Name(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)Nc1ccc(C)nc1)C(=O)O
InChIInChI=1S/C13H17N3O5/c1-8-3-4-9(7-14-8)15-13(20)16-10(12(18)19)5-6-11(17)21-2/h3-4,7,10H,5-6H2,1-2H3,(H,18,19)(H2,15,16,20)/t10-/m0/s1
InChIKeySBUGNKDZYXITKV-JTQLQIEISA-N
XLogP0.92
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2R)-5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]-5-oxopentanoic acid
CID 107826218
2-[(6-methoxy-3-pyridinyl)carbamoylamino]hexanoic acid
CID 61188738
1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
(2R)-5-methoxy-5-oxo-2-(thiadiazol-5-ylcarbamoylamino)pentanoic acid
CID 107829369
(2R)-3,3-dimethyl-2-[(6-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 103928206
(2R)-2-[(1,3-dimethylpyrazol-4-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829412
(2R)-2-[(2-iodophenyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107825786
5-methoxy-2-[(3-methylpyridine-2-carbonyl)amino]-5-oxopentanoic acid
CID 82786990
(2R)-2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107265677
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
(2R)-2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820649

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid (CID 107265688) is (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid is COC(=O)CC[C@H](NC(=O)Nc1ccc(C)nc1)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is SBUGNKDZYXITKV-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O5/c1-8-3-4-9(7-14-8)15-13(20)16-10(12(18)19)5-6-11(17)21-2/h3-4,7,10H,5-6H2,1-2H3,(H,18,19)(H2,15,16,20)/t10-/m0/s1.
What are the key properties of (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid?
(2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 295.30 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-[(6-methyl-3-pyridinyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107265688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).