methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate

C19H21FN2O3 — CID 69416606

IUPACmethyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNCc1ccccc1
InChIInChI=1S/C19H21FN2O3/c1-25-19(24)17(11-14-7-9-16(20)10-8-14)22-18(23)13-21-12-15-5-3-2-4-6-15/h2-10,17,21H,11-13H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyHQODNKVTBHIEMM-QGZVFWFLSA-N
MW344.39 g/mol
LogP1.82
Rot. Bonds8

About methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate

methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate (PubChem CID 69416606) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate
PubChem CID69416606
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Namemethyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate
SMILESCOC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNCc1ccccc1
InChIInChI=1S/C19H21FN2O3/c1-25-19(24)17(11-14-7-9-16(20)10-8-14)22-18(23)13-21-12-15-5-3-2-4-6-15/h2-10,17,21H,11-13H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyHQODNKVTBHIEMM-QGZVFWFLSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl (2S)-2-[(2-chloroacetyl)amino]-3-(4-fluorophenyl)propanoate
CID 166407659
methyl (2S)-2-[[2-(3H-diazirin-3-yl)acetyl]amino]-3-phenylpropanoate
CID 146167000
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-phenylpropanoate
CID 40744068
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
methyl (2S)-2-(3-methoxypropanoylamino)-3-phenylpropanoate
CID 146266901
methyl 2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 3268160
methyl (2R)-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]-3-phenylpropanoate
CID 8541759
methyl (2R)-2-[[(2R)-2-[[(2R)-3-(4-fluorophenyl)-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 159904050
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
6-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-6-oxohexanoic acid
CID 163407486
3-amino-5-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-5-oxopentanoic acid
CID 6850716

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate (CID 69416606) is methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate is COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CNCc1ccccc1.
What is the InChIKey of methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate?
The InChIKey is HQODNKVTBHIEMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-25-19(24)17(11-14-7-9-16(20)10-8-14)22-18(23)13-21-12-15-5-3-2-4-6-15/h2-10,17,21H,11-13H2,1H3,(H,22,23)/t17-/m1/s1.
What are the key properties of methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate?
methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate has a molecular weight of 344.39 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate is sourced from PubChem (CID 69416606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).