(2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid

C20H22FNO4 — CID 170714569

IUPAC(2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid
SMILESO=C(CCCOCc1ccccc1)N[C@H](Cc1ccccc1F)C(=O)O
InChIInChI=1S/C20H22FNO4/c21-17-10-5-4-9-16(17)13-18(20(24)25)22-19(23)11-6-12-26-14-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2,(H,22,23)(H,24,25)/t18-/m1/s1
InChIKeyYNPZKLVCKDNYIG-GOSISDBHSA-N
MW359.40 g/mol
LogP2.93
Rot. Bonds10

About (2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid

(2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid (PubChem CID 170714569) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is (2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid
PubChem CID170714569
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Name(2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid
SMILESO=C(CCCOCc1ccccc1)N[C@H](Cc1ccccc1F)C(=O)O
InChIInChI=1S/C20H22FNO4/c21-17-10-5-4-9-16(17)13-18(20(24)25)22-19(23)11-6-12-26-14-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2,(H,22,23)(H,24,25)/t18-/m1/s1
InChIKeyYNPZKLVCKDNYIG-GOSISDBHSA-N
XLogP2.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119366917
3-phenyl-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 119165871
(2S)-4-methyl-2-(4-phenylmethoxybutanoylamino)pentanoic acid
CID 119360898
methyl (2R)-3-phenyl-2-(5-phenylmethoxypentanoylamino)propanoate
CID 170714052
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-4-methyl-2-(3-phenylmethoxypropanoylamino)pentanoic acid
CID 119363955
4-methoxy-2-(3-phenylmethoxypropanoylamino)butanoic acid
CID 120702080
(2S)-3-(2,4-difluorophenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 71304179
N-benzyl-4-phenylmethoxybutanamide
CID 15396752
2-(phenylmethoxycarbonylamino)-3-(2,4,5-trifluorophenyl)propanoic acid
CID 66639561
2-oxo-5-phenylmethoxypentanal
CID 166844444

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid?
The IUPAC name of (2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid (CID 170714569) is (2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid?
The canonical SMILES for (2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid is O=C(CCCOCc1ccccc1)N[C@H](Cc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid?
The InChIKey is YNPZKLVCKDNYIG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22FNO4/c21-17-10-5-4-9-16(17)13-18(20(24)25)22-19(23)11-6-12-26-14-15-7-2-1-3-8-15/h1-5,7-10,18H,6,11-14H2,(H,22,23)(H,24,25)/t18-/m1/s1.
What are the key properties of (2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid?
(2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid has a molecular weight of 359.40 g/mol, XLogP of 2.93, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid is sourced from PubChem (CID 170714569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).