(2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid

C16H23NO3 — CID 11311956

IUPAC(2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](NCc1ccccc1)[C@H](O)C1CCCCC1
InChIInChI=1S/C16H23NO3/c18-15(13-9-5-2-6-10-13)14(16(19)20)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15,17-18H,2,5-6,9-11H2,(H,19,20)/t14-,15-/m1/s1
InChIKeyOHFBRCXZTHNVFO-HUUCEWRRSA-N
MW277.36 g/mol
LogP2.17
Rot. Bonds6

About (2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid

(2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid (PubChem CID 11311956) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid
PubChem CID11311956
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid
SMILESO=C(O)[C@H](NCc1ccccc1)[C@H](O)C1CCCCC1
InChIInChI=1S/C16H23NO3/c18-15(13-9-5-2-6-10-13)14(16(19)20)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15,17-18H,2,5-6,9-11H2,(H,19,20)/t14-,15-/m1/s1
InChIKeyOHFBRCXZTHNVFO-HUUCEWRRSA-N
XLogP2.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid?
The IUPAC name of (2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid (CID 11311956) is (2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid.
What is the SMILES notation for (2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid?
The canonical SMILES for (2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid is O=C(O)[C@H](NCc1ccccc1)[C@H](O)C1CCCCC1.
What is the InChIKey of (2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid?
The InChIKey is OHFBRCXZTHNVFO-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H23NO3/c18-15(13-9-5-2-6-10-13)14(16(19)20)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,13-15,17-18H,2,5-6,9-11H2,(H,19,20)/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid?
(2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(benzylamino)-3-cyclohexyl-3-hydroxypropanoic acid is sourced from PubChem (CID 11311956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).