3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid

C14H26N2O4 — CID 81073307

IUPAC3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid
SMILESCCCNC1COCC1C(=O)NCC(CC)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-5-15-12-9-20-8-11(12)14(19)16-7-10(4-2)6-13(17)18/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDTWOHEZFXVBHFT-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.62
Rot. Bonds9

About 3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid

3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid (PubChem CID 81073307) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid
PubChem CID81073307
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid
SMILESCCCNC1COCC1C(=O)NCC(CC)CC(=O)O
InChIInChI=1S/C14H26N2O4/c1-3-5-15-12-9-20-8-11(12)14(19)16-7-10(4-2)6-13(17)18/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyDTWOHEZFXVBHFT-UHFFFAOYSA-N
XLogP0.62
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid?
The IUPAC name of 3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid (CID 81073307) is 3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid is CCCNC1COCC1C(=O)NCC(CC)CC(=O)O.
What is the InChIKey of 3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid?
The InChIKey is DTWOHEZFXVBHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-3-5-15-12-9-20-8-11(12)14(19)16-7-10(4-2)6-13(17)18/h10-12,15H,3-9H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid?
3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.62, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(propylamino)oxolane-3-carbonyl]amino]methyl]pentanoic acid is sourced from PubChem (CID 81073307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).