1-aminocyclohenicosane-1-carboxylic acid

C22H43NO2 — CID 101359672

IUPAC1-aminocyclohenicosane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C22H43NO2/c23-22(21(24)25)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h1-20,23H2,(H,24,25)
InChIKeyYPSPWOJCNNJEHT-UHFFFAOYSA-N
MW353.59 g/mol
LogP6.58
Rot. Bonds1

About 1-aminocyclohenicosane-1-carboxylic acid

1-aminocyclohenicosane-1-carboxylic acid (PubChem CID 101359672) has the molecular formula C22H43NO2 and a molecular weight of 353.59 g/mol. Its IUPAC name is 1-aminocyclohenicosane-1-carboxylic acid.

Molecular Properties

Compound Name1-aminocyclohenicosane-1-carboxylic acid
PubChem CID101359672
Molecular FormulaC22H43NO2
Molecular Weight353.59 g/mol
Exact Mass353.33
IUPAC Name1-aminocyclohenicosane-1-carboxylic acid
SMILESNC1(C(=O)O)CCCCCCCCCCCCCCCCCCCC1
InChIInChI=1S/C22H43NO2/c23-22(21(24)25)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h1-20,23H2,(H,24,25)
InChIKeyYPSPWOJCNNJEHT-UHFFFAOYSA-N
XLogP6.58
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.59
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1-aminocyclopropane-1-carboxylic acid;hydrate
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1-[(1-aminocyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
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carbonic acid;cyclohexane-1,1-diamine
CID 175516465
1-aminocyclopentane-1-carboxamide
CID 139066563
1-aminocyclopentane-1-carboxylic acid;(2S)-2-(cyclohexylamino)propanoic acid
CID 67882155
1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid
CID 174561878
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cyclooctane-1,1-dicarboxylic acid
CID 18521139

Frequently Asked Questions

What is the IUPAC name of 1-aminocyclohenicosane-1-carboxylic acid?
The IUPAC name of 1-aminocyclohenicosane-1-carboxylic acid (CID 101359672) is 1-aminocyclohenicosane-1-carboxylic acid.
What is the SMILES notation for 1-aminocyclohenicosane-1-carboxylic acid?
The canonical SMILES for 1-aminocyclohenicosane-1-carboxylic acid is NC1(C(=O)O)CCCCCCCCCCCCCCCCCCCC1.
What is the InChIKey of 1-aminocyclohenicosane-1-carboxylic acid?
The InChIKey is YPSPWOJCNNJEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO2/c23-22(21(24)25)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h1-20,23H2,(H,24,25).
What are the key properties of 1-aminocyclohenicosane-1-carboxylic acid?
1-aminocyclohenicosane-1-carboxylic acid has a molecular weight of 353.59 g/mol, XLogP of 6.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminocyclohenicosane-1-carboxylic acid is sourced from PubChem (CID 101359672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).