(2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid

C13H22N2O6 — CID 107827194

IUPAC(2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)NCCC1CCCO1)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-20-11(16)5-4-10(12(17)18)15-13(19)14-7-6-9-3-2-8-21-9/h9-10H,2-8H2,1H3,(H,17,18)(H2,14,15,19)/t9?,10-/m0/s1
InChIKeyWTWULNRLZGXXQK-AXDSSHIGSA-N
MW302.33 g/mol
LogP0.26
Rot. Bonds8

About (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid

(2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid (PubChem CID 107827194) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
PubChem CID107827194
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name(2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)NCCC1CCCO1)C(=O)O
InChIInChI=1S/C13H22N2O6/c1-20-11(16)5-4-10(12(17)18)15-13(19)14-7-6-9-3-2-8-21-9/h9-10H,2-8H2,1H3,(H,17,18)(H2,14,15,19)/t9?,10-/m0/s1
InChIKeyWTWULNRLZGXXQK-AXDSSHIGSA-N
XLogP0.26
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]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)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid
CID 107827192
4-methoxy-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 62474156
(2R)-5-methoxy-2-[3-(oxan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 107820646
(2S)-2-[2-(oxan-2-yl)ethylcarbamoylamino]butanoic acid
CID 114135764
(2S)-4-amino-4-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 63716998
5-methoxy-2-[[2-(oxan-2-yl)acetyl]amino]-5-oxopentanoic acid
CID 82787504
methyl 4-oxo-4-[2-(oxolan-2-yl)ethylamino]butanoate
CID 110731234
(2R)-2-(2-aminoethylcarbamoylamino)-5-methoxy-5-oxopentanoic acid
CID 107826511
(2R)-2-[3-(cyclopropylamino)propylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107826543
2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
CID 106110007
(2R)-5-methoxy-2-(2-methoxyethylcarbamoylamino)-5-oxopentanoic acid
CID 107825526
(2R)-2-[2-[cyclopropyl(methyl)amino]ethylcarbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 107827644

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid?
The IUPAC name of (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid (CID 107827194) is (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid?
The canonical SMILES for (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid is COC(=O)CC[C@H](NC(=O)NCCC1CCCO1)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid?
The InChIKey is WTWULNRLZGXXQK-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-20-11(16)5-4-10(12(17)18)15-13(19)14-7-6-9-3-2-8-21-9/h9-10H,2-8H2,1H3,(H,17,18)(H2,14,15,19)/t9?,10-/m0/s1.
What are the key properties of (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid?
(2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid has a molecular weight of 302.33 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-5-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]pentanoic acid is sourced from PubChem (CID 107827194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).