1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid

C14H19NO2 — CID 105493193

IUPAC1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESCC(C)(C)NC1CCc2c(C(=O)O)cccc21
InChIInChI=1S/C14H19NO2/c1-14(2,3)15-12-8-7-9-10(12)5-4-6-11(9)13(16)17/h4-6,12,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyGHVRRQQNKYWYHD-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.76
Rot. Bonds2

About 1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid

1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid (PubChem CID 105493193) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid.

Molecular Properties

Compound Name1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid
PubChem CID105493193
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid
SMILESCC(C)(C)NC1CCc2c(C(=O)O)cccc21
InChIInChI=1S/C14H19NO2/c1-14(2,3)15-12-8-7-9-10(12)5-4-6-11(9)13(16)17/h4-6,12,15H,7-8H2,1-3H3,(H,16,17)
InChIKeyGHVRRQQNKYWYHD-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(ethylamino)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105474285
1-(methoxymethyl)-2,3-dihydro-1H-indene-4-carboxylic acid
CID 105458629
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpentanoic acid
CID 83068949
2-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]-2-methylpropan-1-ol
CID 115927474
5-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105458622
1-[(2-methylpropan-2-yl)oxycarbonyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxylic acid
CID 21076224
4-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzoic acid
CID 83065262
4-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-3-methylbenzoic acid
CID 43736148
(1S)-1-[[(S)-tert-butylsulfinyl]amino]-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-indene-4-carboxamide;(1S)-1-[[(S)-tert-butylsulfinyl]amino]-2,3-dihydro-1H-indene-4-carboxylic acid;3-chloro-4-fluoroaniline;methane
CID 160612753
(1S)-N-phenyl-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 146690514
2-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-7-carboxylic acid
CID 70369501
2-amino-N-(4-bromo-2,3-dihydro-1H-inden-1-yl)-2-phenylpropanamide
CID 120591629

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid?
The IUPAC name of 1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid (CID 105493193) is 1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid.
What is the SMILES notation for 1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid?
The canonical SMILES for 1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid is CC(C)(C)NC1CCc2c(C(=O)O)cccc21.
What is the InChIKey of 1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid?
The InChIKey is GHVRRQQNKYWYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)15-12-8-7-9-10(12)5-4-6-11(9)13(16)17/h4-6,12,15H,7-8H2,1-3H3,(H,16,17).
What are the key properties of 1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid?
1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-2,3-dihydro-1H-indene-4-carboxylic acid is sourced from PubChem (CID 105493193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).