5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid

C14H25N3O4 — CID 64743920

IUPAC5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
SMILESCCC1CCCC(NC(=O)NC(CCC(N)=O)C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-2-9-4-3-5-10(8-9)16-14(21)17-11(13(19)20)6-7-12(15)18/h9-11H,2-8H2,1H3,(H2,15,18)(H,19,20)(H2,16,17,21)
InChIKeyUOOLHEHHWJTIPO-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.97
Rot. Bonds7

About 5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid

5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid (PubChem CID 64743920) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
PubChem CID64743920
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
SMILESCCC1CCCC(NC(=O)NC(CCC(N)=O)C(=O)O)C1
InChIInChI=1S/C14H25N3O4/c1-2-9-4-3-5-10(8-9)16-14(21)17-11(13(19)20)6-7-12(15)18/h9-11H,2-8H2,1H3,(H2,15,18)(H,19,20)(H2,16,17,21)
InChIKeyUOOLHEHHWJTIPO-UHFFFAOYSA-N
XLogP0.97
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3-ethylcyclohexyl)carbamoylamino]pentanedioic acid
CID 64743340
5-amino-2-[(3-methylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61199710
(2R)-5-amino-2-(cyclooctylcarbamoylamino)-5-oxopentanoic acid
CID 107830466
(2S)-5-amino-2-[(3-methylcyclopentyl)carbamoylamino]-5-oxopentanoic acid
CID 104937664
(2S)-5-amino-5-oxo-2-(thian-3-ylcarbamoylamino)pentanoic acid
CID 113364258
4-[(3-ethylcyclohexyl)carbamoylamino]-2-methylbutanoic acid
CID 80541030
(2R)-5-amino-2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 107830518
(2S)-5-amino-2-[(3-ethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61200860
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
CID 107566467
5-amino-2-[(2-aminocyclohexyl)carbamoylamino]-5-oxopentanoic acid
CID 61408424
(2S)-5-amino-2-(1-cyclohexylethylcarbamoylamino)-5-oxopentanoic acid
CID 62406706
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid (CID 64743920) is 5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid is CCC1CCCC(NC(=O)NC(CCC(N)=O)C(=O)O)C1.
What is the InChIKey of 5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
The InChIKey is UOOLHEHHWJTIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-9-4-3-5-10(8-9)16-14(21)17-11(13(19)20)6-7-12(15)18/h9-11H,2-8H2,1H3,(H2,15,18)(H,19,20)(H2,16,17,21).
What are the key properties of 5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid?
5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid has a molecular weight of 299.37 g/mol, XLogP of 0.97, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(3-ethylcyclohexyl)carbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 64743920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).