(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid

C13H22N2O5 — CID 107828105

IUPAC(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NC1(C)CCCC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-13(7-3-4-8-13)15-12(19)14-9(11(17)18)5-6-10(16)20-2/h9H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyKTLQEUJXYWUGFG-SECBINFHSA-N
MW286.33 g/mol
LogP1.02
Rot. Bonds6

About (2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid

(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 107828105) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID107828105
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)NC1(C)CCCC1)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-13(7-3-4-8-13)15-12(19)14-9(11(17)18)5-6-10(16)20-2/h9H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyKTLQEUJXYWUGFG-SECBINFHSA-N
XLogP1.02
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[(1-methylcyclohexyl)carbamoylamino]pentanoic acid
CID 81085133
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]hexanedioic acid
CID 107839454
(2R)-3-hydroxy-2-[(1-methylcyclohexyl)carbamoylamino]propanoic acid
CID 80757359
(2R)-2-[(1-methylcyclohexyl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 104910190
5-methoxy-2-methyl-5-oxopentanoic acid
CID 13192897
(2R)-5-methoxy-2-[(2-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824378
(2S)-2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107828696
(2R)-5-methoxy-5-oxo-2-(piperidin-1-ylcarbamoylamino)pentanoic acid
CID 107828714
(2S)-2-[[2-(1-aminocyclohexyl)acetyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107824195
(2S)-2-[(3,3-dimethylcyclopentyl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107829339
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
(2R)-5-methoxy-2-[(2-methylpyrrolidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 103870614

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid (CID 107828105) is (2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)NC1(C)CCCC1)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is KTLQEUJXYWUGFG-SECBINFHSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(7-3-4-8-13)15-12(19)14-9(11(17)18)5-6-10(16)20-2/h9H,3-8H2,1-2H3,(H,17,18)(H2,14,15,19)/t9-/m1/s1.
What are the key properties of (2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid?
(2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-2-[(1-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 107828105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).