6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid

C14H23NO4 — CID 54876447

IUPAC6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H23NO4/c16-13(3-1-2-4-14(17)18)15(12-5-6-12)9-11-7-8-19-10-11/h11-12H,1-10H2,(H,17,18)
InChIKeySCZKPGWUIMZVGH-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.66
Rot. Bonds8

About 6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid

6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid (PubChem CID 54876447) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
PubChem CID54876447
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H23NO4/c16-13(3-1-2-4-14(17)18)15(12-5-6-12)9-11-7-8-19-10-11/h11-12H,1-10H2,(H,17,18)
InChIKeySCZKPGWUIMZVGH-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[cyclohexylmethyl(cyclopropyl)amino]-6-oxohexanoic acid
CID 60949466
5-[cyclopropyl(oxolan-3-ylmethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62963883
5-(oxolan-3-yl)pentanoic acid
CID 142409072
3-cyclopentylsulfonyl-N-cyclopropyl-N-(oxolan-3-ylmethyl)propanamide
CID 86994411
N-cyclopropyl-2-[(2-methylpropan-2-yl)oxy]-N-(oxolan-3-ylmethyl)acetamide
CID 112604701
4-[2-[cyclopropyl-[[(3R)-oxolan-3-yl]methyl]amino]-2-oxoethyl]benzoic acid
CID 129469912
5-[methyl(oxolan-3-yl)amino]-5-oxopentanoic acid
CID 82732881
6-oxo-6-(oxolan-3-ylmethylamino)hexanoic acid
CID 60919659
4-(oxolan-3-ylmethylamino)butanoic acid
CID 60782844
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
2-[1-(aminomethyl)cyclohexyl]-N-cyclopropyl-N-(oxolan-3-ylmethyl)acetamide
CID 104677867

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid?
The IUPAC name of 6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid (CID 54876447) is 6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid is O=C(O)CCCCC(=O)N(CC1CCOC1)C1CC1.
What is the InChIKey of 6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid?
The InChIKey is SCZKPGWUIMZVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-13(3-1-2-4-14(17)18)15(12-5-6-12)9-11-7-8-19-10-11/h11-12H,1-10H2,(H,17,18).
What are the key properties of 6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid?
6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(oxolan-3-ylmethyl)amino]-6-oxohexanoic acid is sourced from PubChem (CID 54876447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).