methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate

C20H22N2O5 — CID 70351318

IUPACmethyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)N(C(N)=O)c1ccccc1C(=O)OC
InChIInChI=1S/C20H22N2O5/c1-3-27-19(24)17(13-14-9-5-4-6-10-14)22(20(21)25)16-12-8-7-11-15(16)18(23)26-2/h4-12,17H,3,13H2,1-2H3,(H2,21,25)/t17-/m0/s1
InChIKeyZHCJOZMTGRMROB-KRWDZBQOSA-N
MW370.41 g/mol
LogP2.53
Rot. Bonds7

About methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate

methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate (PubChem CID 70351318) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate
PubChem CID70351318
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Namemethyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)N(C(N)=O)c1ccccc1C(=O)OC
InChIInChI=1S/C20H22N2O5/c1-3-27-19(24)17(13-14-9-5-4-6-10-14)22(20(21)25)16-12-8-7-11-15(16)18(23)26-2/h4-12,17H,3,13H2,1-2H3,(H2,21,25)/t17-/m0/s1
InChIKeyZHCJOZMTGRMROB-KRWDZBQOSA-N
XLogP2.53
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate with MolForge

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Related Compounds

methyl 2-[carbamoyl-[(2S,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]benzoate
CID 70481332
2-(N-carbamoyl-2-methoxycarbonylanilino)-3-methylbutanoic acid
CID 70351209
methyl 2-[methoxycarbonyl(propan-2-yl)amino]benzoate
CID 69003350
(2S)-2-benzyl-3-ethoxy-3-oxopropanoic acid
CID 879209
2-[benzyl(ethoxycarbonyl)amino]-3-phenylpropanoic acid
CID 10711290
methyl 3-[benzoyl(propyl)amino]-2-fluorobenzoate
CID 58298665
ethyl (2S)-2-formamido-3-phenylpropanoate
CID 10198363
1-O-ethyl 4-O-methyl (2S)-2-(dibenzylamino)butanedioate
CID 102477689
methyl 2-[(2-bromoacetyl)-propylamino]benzoate
CID 21480472
methyl 2-[[(E)-benzylideneamino]-(3-ethoxy-3-oxopropanoyl)amino]benzoate
CID 87254958
methyl 2-[pentan-2-yl-(2,2,2-trifluoroacetyl)amino]-3-phenylpropanoate
CID 88975908
ethyl (2S)-2-[(3-methoxyphenyl)methyl-methylamino]-3-phenylpropanoate
CID 99809151

Frequently Asked Questions

What is the IUPAC name of methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate?
The IUPAC name of methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate (CID 70351318) is methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate.
What is the SMILES notation for methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate?
The canonical SMILES for methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate is CCOC(=O)[C@H](Cc1ccccc1)N(C(N)=O)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate?
The InChIKey is ZHCJOZMTGRMROB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-3-27-19(24)17(13-14-9-5-4-6-10-14)22(20(21)25)16-12-8-7-11-15(16)18(23)26-2/h4-12,17H,3,13H2,1-2H3,(H2,21,25)/t17-/m0/s1.
What are the key properties of methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate?
methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[carbamoyl-[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]benzoate is sourced from PubChem (CID 70351318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).