4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid

C17H22FNO2 — CID 122033746

IUPAC4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N[C@H]2CCCc3ccc(F)cc32)CC1
InChIInChI=1S/C17H22FNO2/c18-13-7-4-11-2-1-3-16(15(11)10-13)19-14-8-5-12(6-9-14)17(20)21/h4,7,10,12,14,16,19H,1-3,5-6,8-9H2,(H,20,21)/t12?,14?,16-/m0/s1
InChIKeyDVIOSTXCLQACDS-PXCJXSSVSA-N
MW291.37 g/mol
LogP3.44
Rot. Bonds3

About 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid

4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122033746) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID122033746
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N[C@H]2CCCc3ccc(F)cc32)CC1
InChIInChI=1S/C17H22FNO2/c18-13-7-4-11-2-1-3-16(15(11)10-13)19-14-8-5-12(6-9-14)17(20)21/h4,7,10,12,14,16,19H,1-3,5-6,8-9H2,(H,20,21)/t12?,14?,16-/m0/s1
InChIKeyDVIOSTXCLQACDS-PXCJXSSVSA-N
XLogP3.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122032353
4-[[(1S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122034893
N-cyclopropyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83907357
4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid
CID 65054525
4-[[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]benzoic acid
CID 122033747
3-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 122012602
4-[[2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]amino]cyclohexane-1-carboxylic acid
CID 122032933
4-[(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]cyclohexane-1-carboxylic acid
CID 122032898
(2R)-2-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-phenylethanol
CID 102372507
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)thiolan-3-amine
CID 115889550
7-fluoro-2-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 115026714
6-chloro-3-[(7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]pyridazine-4-carboxamide
CID 133446450

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid (CID 122033746) is 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(N[C@H]2CCCc3ccc(F)cc32)CC1.
What is the InChIKey of 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is DVIOSTXCLQACDS-PXCJXSSVSA-N. The full InChI is InChI=1S/C17H22FNO2/c18-13-7-4-11-2-1-3-16(15(11)10-13)19-14-8-5-12(6-9-14)17(20)21/h4,7,10,12,14,16,19H,1-3,5-6,8-9H2,(H,20,21)/t12?,14?,16-/m0/s1.
What are the key properties of 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid?
4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 291.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122033746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).