(1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride

C16H23ClN2O2 — CID 155941150

IUPAC(1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CC[C@H](C(=O)NC2Cc3ccccc3C2)C[C@H]1O
InChIInChI=1S/C16H22N2O2.ClH/c17-14-6-5-12(9-15(14)19)16(20)18-13-7-10-3-1-2-4-11(10)8-13;/h1-4,12-15,19H,5-9,17H2,(H,18,20);1H/t12-,14+,15+;/m0./s1
InChIKeyPBSRGTRVHZIXNE-SQFLUBDYSA-N
MW310.82 g/mol
LogP1.18
Rot. Bonds2

About (1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride

(1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride (PubChem CID 155941150) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is (1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride
PubChem CID155941150
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name(1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1CC[C@H](C(=O)NC2Cc3ccccc3C2)C[C@H]1O
InChIInChI=1S/C16H22N2O2.ClH/c17-14-6-5-12(9-15(14)19)16(20)18-13-7-10-3-1-2-4-11(10)8-13;/h1-4,12-15,19H,5-9,17H2,(H,18,20);1H/t12-,14+,15+;/m0./s1
InChIKeyPBSRGTRVHZIXNE-SQFLUBDYSA-N
XLogP1.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride (CID 155941150) is (1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride is Cl.N[C@@H]1CC[C@H](C(=O)NC2Cc3ccccc3C2)C[C@H]1O.
What is the InChIKey of (1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride?
The InChIKey is PBSRGTRVHZIXNE-SQFLUBDYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c17-14-6-5-12(9-15(14)19)16(20)18-13-7-10-3-1-2-4-11(10)8-13;/h1-4,12-15,19H,5-9,17H2,(H,18,20);1H/t12-,14+,15+;/m0./s1.
What are the key properties of (1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride?
(1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 1.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-4-amino-N-(2,3-dihydro-1H-inden-2-yl)-3-hydroxycyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155941150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).