4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid

C17H24N2O4 — CID 122023942

IUPAC4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC[C@H](O)Cc1ccccc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24N2O4/c20-15(10-12-4-2-1-3-5-12)11-18-17(23)19-14-8-6-13(7-9-14)16(21)22/h1-5,13-15,20H,6-11H2,(H,21,22)(H2,18,19,23)/t13?,14?,15-/m1/s1
InChIKeyZGBNQJOQQJSOOA-YMAMQOFZSA-N
MW320.39 g/mol
LogP1.53
Rot. Bonds6

About 4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122023942) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122023942
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NC[C@H](O)Cc1ccccc1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H24N2O4/c20-15(10-12-4-2-1-3-5-12)11-18-17(23)19-14-8-6-13(7-9-14)16(21)22/h1-5,13-15,20H,6-11H2,(H,21,22)(H2,18,19,23)/t13?,14?,15-/m1/s1
InChIKeyZGBNQJOQQJSOOA-YMAMQOFZSA-N
XLogP1.53
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673460
1-cyclopropyl-3-(2-methyl-3-phenylpropyl)urea
CID 110356549
1-cyclopropyl-3-(2,3-diphenylpropyl)urea
CID 110307425
1-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111976784
4-[(2-benzyl-3-sulfanylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 88611504
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023538
4-[[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122025005
4-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023484
4-[[(2S)-1-(2-methoxyethylamino)-1-oxo-3-phenylpropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122024254
1-(2-hydroxy-3-phenylpropyl)-3-phenylmethoxyurea
CID 110937017
1-(2-methyl-3-phenylpropyl)-3-(oxan-4-yl)urea
CID 110608624
1-(2-ethylbutyl)-3-(2-hydroxy-3-phenylpropyl)urea
CID 111102261

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122023942) is 4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid is O=C(NC[C@H](O)Cc1ccccc1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ZGBNQJOQQJSOOA-YMAMQOFZSA-N. The full InChI is InChI=1S/C17H24N2O4/c20-15(10-12-4-2-1-3-5-12)11-18-17(23)19-14-8-6-13(7-9-14)16(21)22/h1-5,13-15,20H,6-11H2,(H,21,22)(H2,18,19,23)/t13?,14?,15-/m1/s1.
What are the key properties of 4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 1.53, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122023942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).