(2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid

C13H22N2O5 — CID 107828628

IUPAC(2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid
SMILESC=CCN(CCC)C(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-4-8-15(9-5-2)13(19)14-10(12(17)18)6-7-11(16)20-3/h4,10H,1,5-9H2,2-3H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyGSYAZJKOIYBTTH-SNVBAGLBSA-N
MW286.33 g/mol
LogP1.00
Rot. Bonds9

About (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid

(2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid (PubChem CID 107828628) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid
PubChem CID107828628
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid
SMILESC=CCN(CCC)C(=O)N[C@H](CCC(=O)OC)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-4-8-15(9-5-2)13(19)14-10(12(17)18)6-7-11(16)20-3/h4,10H,1,5-9H2,2-3H3,(H,14,19)(H,17,18)/t10-/m1/s1
InChIKeyGSYAZJKOIYBTTH-SNVBAGLBSA-N
XLogP1.00
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[cyclopropyl(prop-2-enyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107828637
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826443
(2R)-2-[[butyl(methyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 114005321
2-[[2-methoxyethyl(prop-2-enyl)carbamoyl]amino]butanedioic acid
CID 103339673
(2R)-2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827131
(2R)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829573
(2S)-2-(dipropylcarbamoylamino)hexanoic acid
CID 107145276
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2S)-5-methoxy-2-[[2-methoxyethyl(methyl)carbamoyl]amino]-5-oxopentanoic acid
CID 114005480
2-(dipropylcarbamoylamino)-3-methoxypropanoic acid
CID 81084585
(2S)-2-hydroxy-4-[[prop-2-enyl(propyl)carbamoyl]amino]butanoic acid
CID 107840714
(2R)-2-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107827833

Frequently Asked Questions

What is the IUPAC name of (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid (CID 107828628) is (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid is C=CCN(CCC)C(=O)N[C@H](CCC(=O)OC)C(=O)O.
What is the InChIKey of (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid?
The InChIKey is GSYAZJKOIYBTTH-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-4-8-15(9-5-2)13(19)14-10(12(17)18)6-7-11(16)20-3/h4,10H,1,5-9H2,2-3H3,(H,14,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid?
(2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-methoxy-5-oxo-2-[[prop-2-enyl(propyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 107828628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).