6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid

C15H23NO3 — CID 129436866

IUPAC6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12
InChIInChI=1S/C15H23NO3/c17-11(18)4-2-1-3-7-16-15(19)14-12-9-5-6-10(8-9)13(12)14/h9-10,12-14H,1-8H2,(H,16,19)(H,17,18)/t9-,10-,12-,13-/m0/s1
InChIKeyTYZSFKCKIBQTBV-UKJIMTQDSA-N
MW265.35 g/mol
LogP2.04
Rot. Bonds7

About 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid

6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid (PubChem CID 129436866) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid
PubChem CID129436866
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid
SMILESO=C(O)CCCCCNC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12
InChIInChI=1S/C15H23NO3/c17-11(18)4-2-1-3-7-16-15(19)14-12-9-5-6-10(8-9)13(12)14/h9-10,12-14H,1-8H2,(H,16,19)(H,17,18)/t9-,10-,12-,13-/m0/s1
InChIKeyTYZSFKCKIBQTBV-UKJIMTQDSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid with MolForge

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Related Compounds

6-(bicyclo[3.1.0]hexane-6-carbonylamino)hexanoic acid
CID 81455114
2-[[(1R,2R,4R,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]acetic acid
CID 99849593
5-[[(1S,2R)-2-cyclopropylcyclopropanecarbonyl]amino]pentanoic acid
CID 99851184
N-[3-(methylamino)propyl]tricyclo[3.2.1.02,4]octane-3-carboxamide;hydrochloride
CID 119432515
7-(bicyclo[2.2.1]heptane-2-carbonylamino)heptanoic acid
CID 43209972
6-(cyclobutanecarbonylamino)hexanoic acid
CID 16786054
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
6-[(3-aminocyclopentanecarbonyl)amino]hexanoic acid
CID 66010231
7-(oxane-4-carbonylamino)heptanoic acid
CID 28779379
7-[(2-methyloxane-4-carbonyl)amino]heptanoic acid
CID 120524056
7-(cyclopent-3-ene-1-carbonylamino)heptanoic acid
CID 64766728
6-[[3-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 78979666

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid?
The IUPAC name of 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid (CID 129436866) is 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid?
The canonical SMILES for 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid is O=C(O)CCCCCNC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12.
What is the InChIKey of 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid?
The InChIKey is TYZSFKCKIBQTBV-UKJIMTQDSA-N. The full InChI is InChI=1S/C15H23NO3/c17-11(18)4-2-1-3-7-16-15(19)14-12-9-5-6-10(8-9)13(12)14/h9-10,12-14H,1-8H2,(H,16,19)(H,17,18)/t9-,10-,12-,13-/m0/s1.
What are the key properties of 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid?
6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S,2S,4S,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 129436866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).