(1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

C14H28N2O2 — CID 126617381

IUPAC(1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NC[C@@H](N)CO
InChIInChI=1S/C14H28N2O2/c1-9(2)12-5-4-10(3)6-13(12)14(18)16-7-11(15)8-17/h9-13,17H,4-8,15H2,1-3H3,(H,16,18)/t10-,11-,12+,13-/m1/s1
InChIKeyZWQBUAVGYAWQQJ-FVCCEPFGSA-N
MW256.39 g/mol
LogP1.13
Rot. Bonds5

About (1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide

(1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (PubChem CID 126617381) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is (1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name(1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
PubChem CID126617381
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name(1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NC[C@@H](N)CO
InChIInChI=1S/C14H28N2O2/c1-9(2)12-5-4-10(3)6-13(12)14(18)16-7-11(15)8-17/h9-13,17H,4-8,15H2,1-3H3,(H,16,18)/t10-,11-,12+,13-/m1/s1
InChIKeyZWQBUAVGYAWQQJ-FVCCEPFGSA-N
XLogP1.13
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The IUPAC name of (1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide (CID 126617381) is (1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide.
What is the SMILES notation for (1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The canonical SMILES for (1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NC[C@@H](N)CO.
What is the InChIKey of (1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
The InChIKey is ZWQBUAVGYAWQQJ-FVCCEPFGSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-9(2)12-5-4-10(3)6-13(12)14(18)16-7-11(15)8-17/h9-13,17H,4-8,15H2,1-3H3,(H,16,18)/t10-,11-,12+,13-/m1/s1.
What are the key properties of (1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide?
(1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5R)-N-[(2R)-2-amino-3-hydroxypropyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 126617381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).