methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate

C24H30N2O3 — CID 10763209

IUPACmethyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H](C)N1Cc1ccccc1
InChIInChI=1S/C24H30N2O3/c1-18-10-9-15-22(26(18)17-20-13-7-4-8-14-20)23(27)25-21(24(28)29-2)16-19-11-5-3-6-12-19/h3-8,11-14,18,21-22H,9-10,15-17H2,1-2H3,(H,25,27)/t18-,21+,22-/m0/s1
InChIKeyMHKWXIZWQXASDW-BWAGFHJFSA-N
MW394.52 g/mol
LogP3.33
Rot. Bonds7

About methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate

methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate (PubChem CID 10763209) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate
PubChem CID10763209
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Namemethyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H](C)N1Cc1ccccc1
InChIInChI=1S/C24H30N2O3/c1-18-10-9-15-22(26(18)17-20-13-7-4-8-14-20)23(27)25-21(24(28)29-2)16-19-11-5-3-6-12-19/h3-8,11-14,18,21-22H,9-10,15-17H2,1-2H3,(H,25,27)/t18-,21+,22-/m0/s1
InChIKeyMHKWXIZWQXASDW-BWAGFHJFSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 4527733
CID 53495893
CID 53495893
methyl (2S)-2-[[(2R)-1-[(2S)-2-aminobutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
CID 167596044
4-[(2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-methoxy-3-oxopropyl]benzoic acid
CID 102022444
methyl (2S)-2-[[(2S)-1-[(2S)-3-[[(2S)-3-[(2S)-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
CID 53496041
tert-butyl (2S)-2-[[(2S)-1-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 131713718
2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791265
methyl 2-[(3-aminocyclopentanecarbonyl)amino]-3-phenylpropanoate;hydrochloride
CID 119726356
N-[(2R)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-1-benzyl-6-oxopiperidine-2-carboxamide
CID 66644739
methyl (2S)-2-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 58591987
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974
tert-butyl (2S)-2-[[(2S)-1-(2-methoxy-2-oxoacetyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate
CID 10046806

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate (CID 10763209) is methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H](C)N1Cc1ccccc1.
What is the InChIKey of methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is MHKWXIZWQXASDW-BWAGFHJFSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-18-10-9-15-22(26(18)17-20-13-7-4-8-14-20)23(27)25-21(24(28)29-2)16-19-11-5-3-6-12-19/h3-8,11-14,18,21-22H,9-10,15-17H2,1-2H3,(H,25,27)/t18-,21+,22-/m0/s1.
What are the key properties of methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate?
methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 394.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(2S,6S)-1-benzyl-6-methylpiperidine-2-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 10763209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).