4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid

C11H18N2O3 — CID 170612769

IUPAC4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid
SMILESO=CNC1CC2(C1)CN(CCCC(=O)O)C2
InChIInChI=1S/C11H18N2O3/c14-8-12-9-4-11(5-9)6-13(7-11)3-1-2-10(15)16/h8-9H,1-7H2,(H,12,14)(H,15,16)
InChIKeyHTUVKEILAWKVSP-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.06
Rot. Bonds6

About 4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid

4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid (PubChem CID 170612769) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid
PubChem CID170612769
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid
SMILESO=CNC1CC2(C1)CN(CCCC(=O)O)C2
InChIInChI=1S/C11H18N2O3/c14-8-12-9-4-11(5-9)6-13(7-11)3-1-2-10(15)16/h8-9H,1-7H2,(H,12,14)(H,15,16)
InChIKeyHTUVKEILAWKVSP-UHFFFAOYSA-N
XLogP0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(5-azaspiro[2.3]hexan-5-yl)pentanoic acid
CID 79695089
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid
CID 79686303
N-(2-butyl-2-azaspiro[3.3]heptan-6-yl)formamide;(5R)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 145375401
4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
CID 106670158
5-(3,3-diethylazetidin-1-yl)pentanoic acid
CID 79694469
N-(1-pentylpiperidin-4-yl)formamide
CID 174935112
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid
CID 138711748
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one
CID 167476884
4-(2,2-dimethylmorpholin-4-yl)butanoic acid
CID 43593005
6-(aziridin-1-yl)hexanoic acid
CID 141385441

Frequently Asked Questions

What is the IUPAC name of 4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid?
The IUPAC name of 4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid (CID 170612769) is 4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid.
What is the SMILES notation for 4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid?
The canonical SMILES for 4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid is O=CNC1CC2(C1)CN(CCCC(=O)O)C2.
What is the InChIKey of 4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid?
The InChIKey is HTUVKEILAWKVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-8-12-9-4-11(5-9)6-13(7-11)3-1-2-10(15)16/h8-9H,1-7H2,(H,12,14)(H,15,16).
What are the key properties of 4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid?
4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-formamido-2-azaspiro[3.3]heptan-2-yl)butanoic acid is sourced from PubChem (CID 170612769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).