[(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride

C18H28ClNO3 — CID 162317974

IUPAC[(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride
SMILESC[C@H](N)C(=O)O[C@@H](C)[C@H](Oc1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C18H27NO3.ClH/c1-13(19)18(20)21-14(2)17(15-9-5-3-6-10-15)22-16-11-7-4-8-12-16;/h4,7-8,11-15,17H,3,5-6,9-10,19H2,1-2H3;1H/t13-,14-,17-;/m0./s1
InChIKeyVRSBELPFAOZFEO-OEBRWYAZSA-N
MW341.88 g/mol
LogP3.71
Rot. Bonds6

About [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride

[(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride (PubChem CID 162317974) has the molecular formula C18H28ClNO3 and a molecular weight of 341.88 g/mol. Its IUPAC name is [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride.

Molecular Properties

Compound Name[(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride
PubChem CID162317974
Molecular FormulaC18H28ClNO3
Molecular Weight341.88 g/mol
Exact Mass341.18
IUPAC Name[(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride
SMILESC[C@H](N)C(=O)O[C@@H](C)[C@H](Oc1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C18H27NO3.ClH/c1-13(19)18(20)21-14(2)17(15-9-5-3-6-10-15)22-16-11-7-4-8-12-16;/h4,7-8,11-15,17H,3,5-6,9-10,19H2,1-2H3;1H/t13-,14-,17-;/m0./s1
InChIKeyVRSBELPFAOZFEO-OEBRWYAZSA-N
XLogP3.71
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride with MolForge

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Related Compounds

[(2S)-1-cyclohexyl-2-phenoxypropyl] (2S)-2-aminopropanoate
CID 137444928
[(1R,2S)-1-cyclopentyl-1-(3-fluorophenoxy)propan-2-yl] (2S)-2-aminopropanoate;hydrochloride
CID 162329343
4-O-tert-butyl 1-O-[(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2R)-2-methylbutanedioate
CID 157118518
[(1R,2S)-1-(2-chloro-4-methylphenoxy)-1-cyclopentylpropan-2-yl] (2S)-2-aminopropanoate
CID 121466179
1-cyclohexylethyl (2S)-2-aminopropanoate
CID 165176376
[(3R,4S)-4-phenoxypent-1-en-3-yl] (2S)-2-aminopropanoate
CID 121462770
phenyl 3-cyclohexyl-3-hydroxy-2-methylpropanoate
CID 72790163
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
diphenyl 2-cyclopentylpropanedioate
CID 102478722
[(1R,2S)-1-cyclopentyl-1-phenoxypropan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate
CID 121466496
[(2S,3R)-2-phenoxyhexan-3-yl] (2S)-2-aminopropanoate
CID 121462537
[(3S)-3-phenoxy-1-phenylbutan-2-yl] (2S)-2-aminopropanoate
CID 121462545

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride?
The IUPAC name of [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride (CID 162317974) is [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride.
What is the SMILES notation for [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride?
The canonical SMILES for [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride is C[C@H](N)C(=O)O[C@@H](C)[C@H](Oc1ccccc1)C1CCCCC1.Cl.
What is the InChIKey of [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride?
The InChIKey is VRSBELPFAOZFEO-OEBRWYAZSA-N. The full InChI is InChI=1S/C18H27NO3.ClH/c1-13(19)18(20)21-14(2)17(15-9-5-3-6-10-15)22-16-11-7-4-8-12-16;/h4,7-8,11-15,17H,3,5-6,9-10,19H2,1-2H3;1H/t13-,14-,17-;/m0./s1.
What are the key properties of [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride?
[(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-cyclohexyl-1-phenoxypropan-2-yl] (2S)-2-aminopropanoate;hydrochloride is sourced from PubChem (CID 162317974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).