7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid

C14H25NO2 — CID 18377070

IUPAC7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid
SMILESNC1C2CCC(C2)C1CCCCCCC(=O)O
InChIInChI=1S/C14H25NO2/c15-14-11-8-7-10(9-11)12(14)5-3-1-2-4-6-13(16)17/h10-12,14H,1-9,15H2,(H,16,17)
InChIKeyUKXLPCGOHBVAOS-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.79
Rot. Bonds7

About 7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid

7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid (PubChem CID 18377070) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid.

Molecular Properties

Compound Name7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid
PubChem CID18377070
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid
SMILESNC1C2CCC(C2)C1CCCCCCC(=O)O
InChIInChI=1S/C14H25NO2/c15-14-11-8-7-10(9-11)12(14)5-3-1-2-4-6-13(16)17/h10-12,14H,1-9,15H2,(H,16,17)
InChIKeyUKXLPCGOHBVAOS-UHFFFAOYSA-N
XLogP2.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 85185916
13-[(2S,3S,5R,6R)-2,3,4,5,6-pentafluorocyclohexyl]tridecanoic acid
CID 177428778
8-[1-(7-carboxyheptyl)-6,7-dipentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]octanoic acid
CID 20626771
5-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-2-yl)pentanoic acid
CID 157040286
5-(2-bicyclo[3.2.1]octanyl)pentanoic acid
CID 21325432
7-[(1S,2R,3S,4R)-3-pyridin-3-yl-2-bicyclo[2.2.1]heptanyl]heptanoic acid
CID 14860295
8-cyclobutyloctanoic acid
CID 72551210
7-[(1S,2S,5R)-2-cyclohexyl-5-hydroxycyclopentyl]heptanoic acid
CID 102007417
16-[4-(aminomethyl)cyclohexyl]hexadecanoic acid
CID 67111658
5-(2-aminocyclopentyl)pentanoic acid
CID 163221565
5-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)pentanoic acid
CID 90477996
8-[3-(7-carboxyheptyl)-4-hexyl-2-octylcyclohexyl]octanoic acid
CID 58224535

Frequently Asked Questions

What is the IUPAC name of 7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid?
The IUPAC name of 7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid (CID 18377070) is 7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid.
What is the SMILES notation for 7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid?
The canonical SMILES for 7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid is NC1C2CCC(C2)C1CCCCCCC(=O)O.
What is the InChIKey of 7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid?
The InChIKey is UKXLPCGOHBVAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c15-14-11-8-7-10(9-11)12(14)5-3-1-2-4-6-13(16)17/h10-12,14H,1-9,15H2,(H,16,17).
What are the key properties of 7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid?
7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid has a molecular weight of 239.36 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid is sourced from PubChem (CID 18377070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).