methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate

C19H22N2O3 — CID 2026523

IUPACmethyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-21(14-16-11-7-4-8-12-16)19(23)20-17(18(22)24-2)13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyHKEYOWDGOFOHHM-KRWDZBQOSA-N
MW326.40 g/mol
LogP2.61
Rot. Bonds6

About methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate

methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate (PubChem CID 2026523) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate
PubChem CID2026523
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namemethyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-21(14-16-11-7-4-8-12-16)19(23)20-17(18(22)24-2)13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H,20,23)/t17-/m0/s1
InChIKeyHKEYOWDGOFOHHM-KRWDZBQOSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate (CID 2026523) is methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)N(C)Cc1ccccc1.
What is the InChIKey of methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate?
The InChIKey is HKEYOWDGOFOHHM-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(14-16-11-7-4-8-12-16)19(23)20-17(18(22)24-2)13-15-9-5-3-6-10-15/h3-12,17H,13-14H2,1-2H3,(H,20,23)/t17-/m0/s1.
What are the key properties of methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate?
methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate has a molecular weight of 326.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 2026523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).