4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid

C14H26N2O2 — CID 119139664

IUPAC4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
SMILESCC(C)N1C2CCC1CN(CCCC(=O)O)CC2
InChIInChI=1S/C14H26N2O2/c1-11(2)16-12-5-6-13(16)10-15(9-7-12)8-3-4-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyJHRZFCSAFZUZCV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds5

About 4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid

4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid (PubChem CID 119139664) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
PubChem CID119139664
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid
SMILESCC(C)N1C2CCC1CN(CCCC(=O)O)CC2
InChIInChI=1S/C14H26N2O2/c1-11(2)16-12-5-6-13(16)10-15(9-7-12)8-3-4-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18)
InChIKeyJHRZFCSAFZUZCV-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylpiperidin-1-yl)butanoic acid
CID 115873359
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
4-(3-methoxypyrrolidin-1-yl)butanoic acid
CID 103535134
4-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687036
4-[(2S)-2-propan-2-ylthiomorpholin-4-yl]butanoic acid
CID 124607987
10-[1-(9-carboxynonyl)pyrrolidin-3-yl]decanoic acid
CID 150496556
1-(2,6-dimethylmorpholin-4-yl)-3-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-2-ol
CID 111512146
3-(4-bromobutyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175266
4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
CID 106670158
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
4-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]butanoic acid
CID 124778661
5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentanoic acid
CID 81200094

Frequently Asked Questions

What is the IUPAC name of 4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid?
The IUPAC name of 4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid (CID 119139664) is 4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid.
What is the SMILES notation for 4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid?
The canonical SMILES for 4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid is CC(C)N1C2CCC1CN(CCCC(=O)O)CC2.
What is the InChIKey of 4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid?
The InChIKey is JHRZFCSAFZUZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11(2)16-12-5-6-13(16)10-15(9-7-12)8-3-4-14(17)18/h11-13H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid?
4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid has a molecular weight of 254.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoic acid is sourced from PubChem (CID 119139664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).