(2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid

C17H23NO2 — CID 67022585

IUPAC(2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
SMILESN[C@@](C(=O)O)(C1CCCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C17H23NO2/c18-17(16(19)20,14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-15/h4-7,14-15H,1-3,8-11,18H2,(H,19,20)/t17-/m0/s1
InChIKeyIBRBXMNSLWNMJA-KRWDZBQOSA-N
MW273.38 g/mol
LogP2.76
Rot. Bonds3

About (2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid

(2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid (PubChem CID 67022585) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
PubChem CID67022585
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid
SMILESN[C@@](C(=O)O)(C1CCCCC1)C1Cc2ccccc2C1
InChIInChI=1S/C17H23NO2/c18-17(16(19)20,14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-15/h4-7,14-15H,1-3,8-11,18H2,(H,19,20)/t17-/m0/s1
InChIKeyIBRBXMNSLWNMJA-KRWDZBQOSA-N
XLogP2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-cyclohexyl-2-cyclopentylacetic acid
CID 67022454
2-cyclohexyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 83725276
2-amino-2-cyclohexyl-2-fluoroacetic acid
CID 176668442
(2S)-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)-2-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylamino]acetic acid
CID 87239892
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
2-cyclopentyl-2-hydroxy-2-(2-methylphenyl)acetic acid
CID 56924194
(2S)-2-cyclohexyl-2-hydroxy-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylacetamide
CID 100931985
2-amino-2-methylpropanoic acid;tert-butylcyclohexane;ethane
CID 162724890
2-amino-N-(2,3-dihydro-1H-inden-2-yl)cycloheptane-1-carboxamide
CID 107842831
2-(benzylamino)-2-cyclohexylpropanoic acid
CID 63320736
2-cyclopentyl-2-hydroxy-2-phenylacetohydrazide
CID 71945316
2-cyclohexyl-2,2-dimethoxy-1-phenylethanone
CID 139798779

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid?
The IUPAC name of (2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid (CID 67022585) is (2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid is N[C@@](C(=O)O)(C1CCCCC1)C1Cc2ccccc2C1.
What is the InChIKey of (2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid?
The InChIKey is IBRBXMNSLWNMJA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23NO2/c18-17(16(19)20,14-8-2-1-3-9-14)15-10-12-6-4-5-7-13(12)11-15/h4-7,14-15H,1-3,8-11,18H2,(H,19,20)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid?
(2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid has a molecular weight of 273.38 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclohexyl-2-(2,3-dihydro-1H-inden-2-yl)acetic acid is sourced from PubChem (CID 67022585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).