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

C20H29NO2 — CID 122032353

IUPAC4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc2c(c1)[C@@H](NC1CCC(C(=O)O)CC1)CCC2
InChIInChI=1S/C20H29NO2/c1-13(2)16-7-6-14-4-3-5-19(18(14)12-16)21-17-10-8-15(9-11-17)20(22)23/h6-7,12-13,15,17,19,21H,3-5,8-11H2,1-2H3,(H,22,23)/t15?,17?,19-/m0/s1
InChIKeyQSLAMGZYAVVNKC-KVWWFHCMSA-N
MW315.46 g/mol
LogP4.42
Rot. Bonds4

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

4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122032353) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
PubChem CID122032353
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
SMILESCC(C)c1ccc2c(c1)[C@@H](NC1CCC(C(=O)O)CC1)CCC2
InChIInChI=1S/C20H29NO2/c1-13(2)16-7-6-14-4-3-5-19(18(14)12-16)21-17-10-8-15(9-11-17)20(22)23/h6-7,12-13,15,17,19,21H,3-5,8-11H2,1-2H3,(H,22,23)/t15?,17?,19-/m0/s1
InChIKeyQSLAMGZYAVVNKC-KVWWFHCMSA-N
XLogP4.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

4-[[(1S)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122033746
2-[4-[(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]piperidin-1-yl]acetamide
CID 75434892
4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)cyclohexane-1-carboxylic acid
CID 65054525
N-[7-(1-aminoethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 82176169
(2S,4S)-2-methyl-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 120640719
4-[[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008277
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]butanoic acid
CID 122008259
2-amino-3-methoxy-N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 120993751
N-cyclopropyl-1-oxo-7-propan-2-yl-2,3,4,5-tetrahydro-1λ4-benzothiepin-5-amine
CID 61288325
2,6-difluoro-3-hydroxy-N-[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 167915265
N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridin-3-ylacetamide
CID 126768985
4-[(6-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)amino]cyclohexane-1-carboxylic acid
CID 122032898

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid (CID 122032353) is 4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid is CC(C)c1ccc2c(c1)[C@@H](NC1CCC(C(=O)O)CC1)CCC2.
What is the InChIKey of 4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QSLAMGZYAVVNKC-KVWWFHCMSA-N. The full InChI is InChI=1S/C20H29NO2/c1-13(2)16-7-6-14-4-3-5-19(18(14)12-16)21-17-10-8-15(9-11-17)20(22)23/h6-7,12-13,15,17,19,21H,3-5,8-11H2,1-2H3,(H,22,23)/t15?,17?,19-/m0/s1.
What are the key properties of 4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid?
4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 315.46 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122032353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).