4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid

C19H26N2O3 — CID 122021796

IUPAC4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CC2(CCCCC2)C1c1ccccc1
InChIInChI=1S/C19H26N2O3/c22-16(23)10-7-13-20-18(24)21-14-19(11-5-2-6-12-19)17(21)15-8-3-1-4-9-15/h1,3-4,8-9,17H,2,5-7,10-14H2,(H,20,24)(H,22,23)
InChIKeyLFZAZAMWZCYOCK-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.57
Rot. Bonds5

About 4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid

4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid (PubChem CID 122021796) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid
PubChem CID122021796
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)N1CC2(CCCCC2)C1c1ccccc1
InChIInChI=1S/C19H26N2O3/c22-16(23)10-7-13-20-18(24)21-14-19(11-5-2-6-12-19)17(21)15-8-3-1-4-9-15/h1,3-4,8-9,17H,2,5-7,10-14H2,(H,20,24)(H,22,23)
InChIKeyLFZAZAMWZCYOCK-UHFFFAOYSA-N
XLogP3.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-phenylazetidine-1-carbonyl)amino]butanoic acid
CID 122021569
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-3-phenyl-7-oxa-2-azaspiro[3.5]nonane-2-carboxamide
CID 128730546
4-[(3-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)amino]butanoic acid
CID 122022103
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
4-[(5-oxo-7-phenyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122023249
4-[[2-(3-methylphenyl)azepane-1-carbonyl]amino]butanoic acid
CID 122023212
4-[[2-[(E)-2-phenylethenyl]azepane-1-carbonyl]amino]butanoic acid
CID 122022245
3-(3-phenyl-2-azaspiro[3.4]octane-2-carbonyl)-1H-pyridin-2-one
CID 128658185
N-(5-methoxy-1,3,4-thiadiazol-2-yl)-3-phenyl-2-azaspiro[3.4]octane-2-carboxamide
CID 154770333
4-[[2-(3-bromophenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021512
4-[(2,5-dimethyl-3-phenylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 122021925
3-methyl-5-(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)-1H-pyrimidine-2,4-dione
CID 128668051

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid (CID 122021796) is 4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)N1CC2(CCCCC2)C1c1ccccc1.
What is the InChIKey of 4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid?
The InChIKey is LFZAZAMWZCYOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c22-16(23)10-7-13-20-18(24)21-14-19(11-5-2-6-12-19)17(21)15-8-3-1-4-9-15/h1,3-4,8-9,17H,2,5-7,10-14H2,(H,20,24)(H,22,23).
What are the key properties of 4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid?
4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid has a molecular weight of 330.43 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenyl-2-azaspiro[3.5]nonane-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 122021796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).