2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C15H19NO2 — CID 115002582

IUPAC2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(NC2CCC2)CCc2ccccc2C1
InChIInChI=1S/C15H19NO2/c17-14(18)15(16-13-6-3-7-13)9-8-11-4-1-2-5-12(11)10-15/h1-2,4-5,13,16H,3,6-10H2,(H,17,18)
InChIKeyPRYYGMWKVMJQED-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.14
Rot. Bonds3

About 2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 115002582) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID115002582
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1(NC2CCC2)CCc2ccccc2C1
InChIInChI=1S/C15H19NO2/c17-14(18)15(16-13-6-3-7-13)9-8-11-4-1-2-5-12(11)10-15/h1-2,4-5,13,16H,3,6-10H2,(H,17,18)
InChIKeyPRYYGMWKVMJQED-UHFFFAOYSA-N
XLogP2.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 60795603
1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
[2-(cycloheptylamino)-3,4-dihydro-1H-naphthalen-2-yl]methanol
CID 61055365
2-(cyclopropanecarbonylamino)-1,3-dihydroindene-2-carboxylic acid
CID 75428971
1-(cyclobutylamino)-4-methylcyclohexane-1-carboxylic acid
CID 82237604
[2-(cyclohexylamino)-1,3-dihydroinden-2-yl]methanol
CID 61047122
2-(cycloheptylamino)-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 60997796
(2S)-2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 95566858
2-(benzylamino)-1,3-dihydroindene-2-carboxylic acid
CID 60992148
7-cycloheptyl-5,6,8,9-tetrahydrobenzo[7]annulene-7-carboxylic acid
CID 163469121
(2R)-2-benzamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]-3,4-dihydro-1H-naphthalene-2-carboxamide
CID 58928015
4-(cyclopentylamino)piperidine-4-carboxylic acid
CID 61243380

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 115002582) is 2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is O=C(O)C1(NC2CCC2)CCc2ccccc2C1.
What is the InChIKey of 2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is PRYYGMWKVMJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(18)15(16-13-6-3-7-13)9-8-11-4-1-2-5-12(11)10-15/h1-2,4-5,13,16H,3,6-10H2,(H,17,18).
What are the key properties of 2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 115002582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).