4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid

C14H23NO4 — CID 114244759

IUPAC4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid
SMILESCC(C)N(C=O)C1(C(=O)O)CCCC12CCOCC2
InChIInChI=1S/C14H23NO4/c1-11(2)15(10-16)14(12(17)18)5-3-4-13(14)6-8-19-9-7-13/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyIBMCQHPQIAUALL-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.66
Rot. Bonds4

About 4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid

4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid (PubChem CID 114244759) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid
PubChem CID114244759
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid
SMILESCC(C)N(C=O)C1(C(=O)O)CCCC12CCOCC2
InChIInChI=1S/C14H23NO4/c1-11(2)15(10-16)14(12(17)18)5-3-4-13(14)6-8-19-9-7-13/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyIBMCQHPQIAUALL-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[formyl(propan-2-yl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid
CID 65085666
4-[formyl(propan-2-yl)amino]thiane-4-carboxylic acid
CID 63705095
4-[(propan-2-ylamino)methyl]oxane-4-carboxylic acid
CID 84670127
3-cyclopropyl-1-[formyl(propan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 64622991
4-[ethyl(propan-2-yl)amino]oxane-4-carboxylic acid
CID 82238509
2-[(4-aminooxane-4-carbonyl)-propan-2-ylamino]acetic acid
CID 113280683
4-(dimethylamino)oxepane-4-carboxylic acid
CID 65081196
2-formyloxane-2-carboxylic acid
CID 141434966
4-ethoxyoxane-4-carboxylic acid
CID 78969464
3-[[2-methylpropyl(propan-2-yl)amino]methyl]oxolane-3-carboxylic acid
CID 62270699
(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044
1,4,7,10-tetraoxacyclopentadecane-13,13-dicarboxylic acid
CID 19822377

Frequently Asked Questions

What is the IUPAC name of 4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid (CID 114244759) is 4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid is CC(C)N(C=O)C1(C(=O)O)CCCC12CCOCC2.
What is the InChIKey of 4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is IBMCQHPQIAUALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-11(2)15(10-16)14(12(17)18)5-3-4-13(14)6-8-19-9-7-13/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid?
4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[formyl(propan-2-yl)amino]-8-oxaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 114244759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).