1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid

C12H23NO3 — CID 82238303

IUPAC1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
SMILESCC(O)CNC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C12H23NO3/c1-10(14)9-13-12(11(15)16)7-5-3-2-4-6-8-12/h10,13-14H,2-9H2,1H3,(H,15,16)
InChIKeyIPEXHVREENVKMY-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.52
Rot. Bonds4

About 1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid

1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid (PubChem CID 82238303) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
PubChem CID82238303
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
SMILESCC(O)CNC1(C(=O)O)CCCCCCC1
InChIInChI=1S/C12H23NO3/c1-10(14)9-13-12(11(15)16)7-5-3-2-4-6-8-12/h10,13-14H,2-9H2,1H3,(H,15,16)
InChIKeyIPEXHVREENVKMY-UHFFFAOYSA-N
XLogP1.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(6,7-Dihydro)4-[(E)-butenyl]-4,N-dimethyl-threonine
CID 5289478
1-(2,2,2-Trifluoroethylamino)cyclooctane-1-carboxylic acid
CID 60998460
Diethyl 2-(3-hydroxyoctylamino)-2-methylnonanedioate
CID 12783290
(2R,3S,4S)-3-hydroxy-4-methyl-2-(methylamino)octanoic acid
CID 13255029
2-[[2-Hydroxy-3-(trimethylazaniumyl)propyl]amino]-2-methyltetradecanoate
CID 19803161
2-(Dodecylamino)-2-methylhexadecanoic acid
CID 20150057
1-[(2-Hydroxyethyl)amino]cyclohexane-1-carboxylic acid
CID 20325237
1-(1-Hydroxyethylamino)cyclohexane-1-carboxylic acid
CID 20390048
(2S)-2-butylazepane-2-carboxylic acid
CID 25030156
(2S)-2-(2-methylpropyl)azepane-2-carboxylic acid
CID 25030158
2-Methyl-2-(methylamino)octanoic acid
CID 43753679
1-(2-Methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid (CID 82238303) is 1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid is CC(O)CNC1(C(=O)O)CCCCCCC1.
What is the InChIKey of 1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid?
The InChIKey is IPEXHVREENVKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(14)9-13-12(11(15)16)7-5-3-2-4-6-8-12/h10,13-14H,2-9H2,1H3,(H,15,16).
What are the key properties of 1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid?
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid has a molecular weight of 229.32 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid is sourced from PubChem (CID 82238303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).