2-(spiro[3.5]nonan-2-ylamino)hexanoic acid

C15H27NO2 — CID 122124242

IUPAC2-(spiro[3.5]nonan-2-ylamino)hexanoic acid
SMILESCCCCC(NC1CC2(CCCCC2)C1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-2-3-7-13(14(17)18)16-12-10-15(11-12)8-5-4-6-9-15/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeyPBRCAWBUARYGTH-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.33
Rot. Bonds6

About 2-(spiro[3.5]nonan-2-ylamino)hexanoic acid

2-(spiro[3.5]nonan-2-ylamino)hexanoic acid (PubChem CID 122124242) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(spiro[3.5]nonan-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name2-(spiro[3.5]nonan-2-ylamino)hexanoic acid
PubChem CID122124242
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-(spiro[3.5]nonan-2-ylamino)hexanoic acid
SMILESCCCCC(NC1CC2(CCCCC2)C1)C(=O)O
InChIInChI=1S/C15H27NO2/c1-2-3-7-13(14(17)18)16-12-10-15(11-12)8-5-4-6-9-15/h12-13,16H,2-11H2,1H3,(H,17,18)
InChIKeyPBRCAWBUARYGTH-UHFFFAOYSA-N
XLogP3.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3-dimethylcyclohexyl)amino]hexanoic acid
CID 103259393
2-(cyclohexylamino)heptanoic acid
CID 60998800
2-(cyclopropylamino)heptanoic acid
CID 43754511
2-[(2,2-dimethylcyclopentyl)amino]hexanoic acid
CID 103256663
2-[(1-hydroxycyclohexyl)methylamino]hexanoic acid
CID 103253670
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(1-cyclohexylpropylamino)hexanoic acid
CID 103249990
(2S)-2-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]hexanoic acid
CID 122044815
2-(dithiolan-3-ylamino)hexanoic acid
CID 175582082
(2R)-2-(piperidin-3-ylamino)decanoic acid
CID 160838910
2-[(1-methyl-6-oxopiperidin-3-yl)amino]hexanoic acid
CID 103252992
(2S)-2-[(5-tert-butylthiolan-3-yl)amino]hexanoic acid
CID 122044704

Frequently Asked Questions

What is the IUPAC name of 2-(spiro[3.5]nonan-2-ylamino)hexanoic acid?
The IUPAC name of 2-(spiro[3.5]nonan-2-ylamino)hexanoic acid (CID 122124242) is 2-(spiro[3.5]nonan-2-ylamino)hexanoic acid.
What is the SMILES notation for 2-(spiro[3.5]nonan-2-ylamino)hexanoic acid?
The canonical SMILES for 2-(spiro[3.5]nonan-2-ylamino)hexanoic acid is CCCCC(NC1CC2(CCCCC2)C1)C(=O)O.
What is the InChIKey of 2-(spiro[3.5]nonan-2-ylamino)hexanoic acid?
The InChIKey is PBRCAWBUARYGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-3-7-13(14(17)18)16-12-10-15(11-12)8-5-4-6-9-15/h12-13,16H,2-11H2,1H3,(H,17,18).
What are the key properties of 2-(spiro[3.5]nonan-2-ylamino)hexanoic acid?
2-(spiro[3.5]nonan-2-ylamino)hexanoic acid has a molecular weight of 253.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(spiro[3.5]nonan-2-ylamino)hexanoic acid is sourced from PubChem (CID 122124242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).