ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate

C18H20N2O3 — CID 10686559

IUPACethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N
InChIInChI=1S/C18H20N2O3/c1-2-23-18(22)16(12-13-8-4-3-5-9-13)20-17(21)14-10-6-7-11-15(14)19/h3-11,16H,2,12,19H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyMQTPBBDMUBCGNL-INIZCTEOSA-N
MW312.37 g/mol
LogP2.17
Rot. Bonds6

About ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate

ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate (PubChem CID 10686559) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
PubChem CID10686559
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N
InChIInChI=1S/C18H20N2O3/c1-2-23-18(22)16(12-13-8-4-3-5-9-13)20-17(21)14-10-6-7-11-15(14)19/h3-11,16H,2,12,19H2,1H3,(H,20,21)/t16-/m0/s1
InChIKeyMQTPBBDMUBCGNL-INIZCTEOSA-N
XLogP2.17
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 43877551
ethyl 3-phenyl-2-[[2-(2-phenylethoxy)benzoyl]amino]propanoate
CID 43877682
2-[[1-ethoxy-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]benzoic acid
CID 68842473
ethyl 2-[[2-(2-methylpropoxy)benzoyl]amino]-3-phenylpropanoate
CID 43877625
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
CID 142971104
ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 140996203
ethyl (2S)-3-phenyl-2-[(3,4,5-trihydroxybenzoyl)amino]propanoate
CID 129232233
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate (CID 10686559) is ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate is CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1N.
What is the InChIKey of ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate?
The InChIKey is MQTPBBDMUBCGNL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-2-23-18(22)16(12-13-8-4-3-5-9-13)20-17(21)14-10-6-7-11-15(14)19/h3-11,16H,2,12,19H2,1H3,(H,20,21)/t16-/m0/s1.
What are the key properties of ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate?
ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate has a molecular weight of 312.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[(2-aminobenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 10686559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).