4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid

C14H26N2O5 — CID 66252537

IUPAC4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NC(C)COCC)C1COCC1C(=O)O
InChIInChI=1S/C14H26N2O5/c1-4-6-16(12-9-21-8-11(12)13(17)18)14(19)15-10(3)7-20-5-2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyJUMRLRYNEMLAGY-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.93
Rot. Bonds8

About 4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid

4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid (PubChem CID 66252537) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
PubChem CID66252537
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)NC(C)COCC)C1COCC1C(=O)O
InChIInChI=1S/C14H26N2O5/c1-4-6-16(12-9-21-8-11(12)13(17)18)14(19)15-10(3)7-20-5-2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyJUMRLRYNEMLAGY-UHFFFAOYSA-N
XLogP0.93
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
CID 83113841
4-[cyclohexylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254172
4-[ethyl-[(1-methoxy-3-methylbutan-2-yl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246734
4-[2-carbamoyloxyethylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 83205759
4-[(2-amino-3-methoxypropanoyl)-propylamino]oxolane-3-carboxylic acid
CID 81101959
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[[(2R)-2-aminobutanoyl]-propylamino]oxolane-3-carboxylic acid
CID 66254352
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid (CID 66252537) is 4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid is CCCN(C(=O)NC(C)COCC)C1COCC1C(=O)O.
What is the InChIKey of 4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
The InChIKey is JUMRLRYNEMLAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-4-6-16(12-9-21-8-11(12)13(17)18)14(19)15-10(3)7-20-5-2/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid?
4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethoxypropan-2-ylcarbamoyl(propyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).