(2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid

C17H15ClFNO4 — CID 156884176

IUPAC(2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1cccc(F)c1)C(=O)O)OCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClFNO4/c18-13-5-1-4-12(7-13)10-24-17(23)20-15(16(21)22)9-11-3-2-6-14(19)8-11/h1-8,15H,9-10H2,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyYTDDFCYJJPVGAB-OAHLLOKOSA-N
MW351.76 g/mol
LogP3.40
Rot. Bonds6

About (2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid

(2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid (PubChem CID 156884176) has the molecular formula C17H15ClFNO4 and a molecular weight of 351.76 g/mol. Its IUPAC name is (2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid
PubChem CID156884176
Molecular FormulaC17H15ClFNO4
Molecular Weight351.76 g/mol
Exact Mass351.07
IUPAC Name(2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid
SMILESO=C(N[C@H](Cc1cccc(F)c1)C(=O)O)OCc1cccc(Cl)c1
InChIInChI=1S/C17H15ClFNO4/c18-13-5-1-4-12(7-13)10-24-17(23)20-15(16(21)22)9-11-3-2-6-14(19)8-11/h1-8,15H,9-10H2,(H,20,23)(H,21,22)/t15-/m1/s1
InChIKeyYTDDFCYJJPVGAB-OAHLLOKOSA-N
XLogP3.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309203
(2S)-5-[(3-chlorophenyl)methoxy]-2-[(3-fluorophenyl)methyl]-5-oxopentanoic acid
CID 156884247
3-(3-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 14770714
2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 140933508
benzyl N-[(2S)-3-(3-chlorophenyl)-1-[(3-fluoro-2-oxopropyl)amino]-1-oxopropan-2-yl]carbamate
CID 155550140
3-(3-chloro-5-iodophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 156692064
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 135362369
benzyl N-[1-[2-(3-fluorophenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 46539126
2-[[3-(4-fluorophenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoic acid
CID 13488140
(2R)-3-(3-chlorophenyl)-2-(cyclohexyloxycarbonylamino)propanoic acid
CID 58473863
(2S)-3-(3-chlorophenyl)-2-(fluoroamino)propanoic acid
CID 174451213
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362376

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid?
The IUPAC name of (2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid (CID 156884176) is (2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid?
The canonical SMILES for (2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid is O=C(N[C@H](Cc1cccc(F)c1)C(=O)O)OCc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid?
The InChIKey is YTDDFCYJJPVGAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClFNO4/c18-13-5-1-4-12(7-13)10-24-17(23)20-15(16(21)22)9-11-3-2-6-14(19)8-11/h1-8,15H,9-10H2,(H,20,23)(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid?
(2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid has a molecular weight of 351.76 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-chlorophenyl)methoxycarbonylamino]-3-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 156884176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).