methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate

C19H19FN2O4 — CID 40856393

IUPACmethyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C19H19FN2O4/c1-26-18(24)11-16(13-7-3-2-4-8-13)22-17(23)12-21-19(25)14-9-5-6-10-15(14)20/h2-10,16H,11-12H2,1H3,(H,21,25)(H,22,23)/t16-/m1/s1
InChIKeyWUBDWYXKSIQCRS-MRXNPFEDSA-N
MW358.37 g/mol
LogP1.98
Rot. Bonds7

About methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate

methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate (PubChem CID 40856393) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
PubChem CID40856393
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Namemethyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
SMILESCOC(=O)C[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccccc1
InChIInChI=1S/C19H19FN2O4/c1-26-18(24)11-16(13-7-3-2-4-8-13)22-17(23)12-21-19(25)14-9-5-6-10-15(14)20/h2-10,16H,11-12H2,1H3,(H,21,25)(H,22,23)/t16-/m1/s1
InChIKeyWUBDWYXKSIQCRS-MRXNPFEDSA-N
XLogP1.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-[[2-[(3,4-difluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 52505542
methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 24554412
methyl 3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoate
CID 119695221
2-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 24648997
N-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]-2-fluorobenzamide
CID 42959561
methyl (3S)-3-[[2-(2-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 51558007
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-methoxypropanoic acid
CID 81085011
2-fluoro-N-[2-(methoxyamino)-2-oxoethyl]benzamide
CID 60717185
methyl (2R)-2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 9277655
methyl (3R)-3-[(2-fluorobenzoyl)amino]butanoate
CID 95575620
2-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]butanoic acid
CID 43387751

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate (CID 40856393) is methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate is COC(=O)C[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccccc1.
What is the InChIKey of methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate?
The InChIKey is WUBDWYXKSIQCRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19FN2O4/c1-26-18(24)11-16(13-7-3-2-4-8-13)22-17(23)12-21-19(25)14-9-5-6-10-15(14)20/h2-10,16H,11-12H2,1H3,(H,21,25)(H,22,23)/t16-/m1/s1.
What are the key properties of methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate?
methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate has a molecular weight of 358.37 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 40856393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).