5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid

C13H22N2O6 — CID 104762334

IUPAC5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCOC1(CNC(=O)NC(=O)CC(C)CC(=O)O)CCOC1
InChIInChI=1S/C13H22N2O6/c1-9(6-11(17)18)5-10(16)15-12(19)14-7-13(20-2)3-4-21-8-13/h9H,3-8H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyFSCGSUAEOHLEAS-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.12
Rot. Bonds7

About 5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid

5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid (PubChem CID 104762334) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
PubChem CID104762334
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid
SMILESCOC1(CNC(=O)NC(=O)CC(C)CC(=O)O)CCOC1
InChIInChI=1S/C13H22N2O6/c1-9(6-11(17)18)5-10(16)15-12(19)14-7-13(20-2)3-4-21-8-13/h9H,3-8H2,1-2H3,(H,17,18)(H2,14,15,16,19)
InChIKeyFSCGSUAEOHLEAS-UHFFFAOYSA-N
XLogP0.12
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]acetamide
CID 104764443
2-chloro-N-[(3-methoxyoxolan-3-yl)methylcarbamoyl]propanamide
CID 104764442
4-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 104762336
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]acetic acid
CID 104764175
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]pentanedioic acid
CID 104764209
5-[(3-methoxyoxolan-3-yl)methylamino]-5-oxopentanoic acid
CID 104759098
N-[(3-methoxyoxolan-3-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 104761435
propan-2-yl N-[(3-methoxyoxolan-3-yl)methyl]carbamate
CID 116657841
2-amino-N-[(3-methoxyoxolan-3-yl)methyl]acetamide
CID 104761415
2-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]pent-4-ynoic acid
CID 113450709
(3-methoxyoxolan-3-yl)methylurea
CID 104704481
N-[(3-methoxyoxolan-3-yl)methyl]-2-(methylamino)propanamide
CID 104761397

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid (CID 104762334) is 5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid is COC1(CNC(=O)NC(=O)CC(C)CC(=O)O)CCOC1.
What is the InChIKey of 5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid?
The InChIKey is FSCGSUAEOHLEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-9(6-11(17)18)5-10(16)15-12(19)14-7-13(20-2)3-4-21-8-13/h9H,3-8H2,1-2H3,(H,17,18)(H2,14,15,16,19).
What are the key properties of 5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid?
5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid has a molecular weight of 302.33 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyoxolan-3-yl)methylcarbamoylamino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 104762334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).