7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid

C12H22N2O4 — CID 66235647

IUPAC7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid
SMILESNC1COCC1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C12H22N2O4/c13-10-8-18-7-9(10)12(17)14-6-4-2-1-3-5-11(15)16/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyOCYHEQFKRRAPRQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.11
Rot. Bonds8

About 7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid

7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid (PubChem CID 66235647) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid
PubChem CID66235647
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid
SMILESNC1COCC1C(=O)NCCCCCCC(=O)O
InChIInChI=1S/C12H22N2O4/c13-10-8-18-7-9(10)12(17)14-6-4-2-1-3-5-11(15)16/h9-10H,1-8,13H2,(H,14,17)(H,15,16)
InChIKeyOCYHEQFKRRAPRQ-UHFFFAOYSA-N
XLogP0.11
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-hexyloxolane-3-carboxamide
CID 66238816
methyl 4-[(4-aminooxolane-3-carbonyl)amino]butanoate
CID 66237074
7-[[4-(ethylamino)oxolane-3-carbonyl]amino]heptanoic acid
CID 66257729
6-[[4-(propylamino)oxolane-3-carbonyl]amino]hexanoic acid
CID 66256152
4-amino-N-[3-(2-methylpropylamino)-3-oxopropyl]oxolane-3-carboxamide
CID 113410096
4-amino-N-[3-(2-methylpropoxy)propyl]oxolane-3-carboxamide
CID 66241397
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
4-amino-N-[2-(azepan-1-yl)ethyl]oxolane-3-carboxamide
CID 66235652
4-amino-N-[3-(N-ethylanilino)propyl]oxolane-3-carboxamide
CID 66237884
4-amino-N-(2,2-dimethylpropyl)oxolane-3-carboxamide
CID 66237269
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
6-[(2-methylcyclopentanecarbonyl)amino]hexanoic acid
CID 107175009

Frequently Asked Questions

What is the IUPAC name of 7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid (CID 66235647) is 7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid is NC1COCC1C(=O)NCCCCCCC(=O)O.
What is the InChIKey of 7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid?
The InChIKey is OCYHEQFKRRAPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c13-10-8-18-7-9(10)12(17)14-6-4-2-1-3-5-11(15)16/h9-10H,1-8,13H2,(H,14,17)(H,15,16).
What are the key properties of 7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid?
7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-aminooxolane-3-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 66235647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).