(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid

C18H19FN2O3 — CID 135362369

IUPAC(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
SMILESNC(Cc1ccccc1)C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C18H19FN2O3/c19-14-8-4-7-13(9-14)11-16(18(23)24)21-17(22)15(20)10-12-5-2-1-3-6-12/h1-9,15-16H,10-11,20H2,(H,21,22)(H,23,24)/t15?,16-/m0/s1
InChIKeyFJSAUCIVFOIGEP-LYKKTTPLSA-N
MW330.36 g/mol
LogP1.51
Rot. Bonds7

About (2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid

(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid (PubChem CID 135362369) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
PubChem CID135362369
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid
SMILESNC(Cc1ccccc1)C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)O
InChIInChI=1S/C18H19FN2O3/c19-14-8-4-7-13(9-14)11-16(18(23)24)21-17(22)15(20)10-12-5-2-1-3-6-12/h1-9,15-16H,10-11,20H2,(H,21,22)(H,23,24)/t15?,16-/m0/s1
InChIKeyFJSAUCIVFOIGEP-LYKKTTPLSA-N
XLogP1.51
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362376
2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362117
(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 6426953
(2S)-2-[[(2S)-2-amino-2-phenylacetyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362053
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
(2S)-2-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319
2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171159
2-[[(2S)-2-aminohexanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 135362291
3-(3-fluorophenyl)-2-(2-hydroxypropanoylamino)propanoic acid
CID 176961732
2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 140933508
(3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobutanoic acid
CID 145457163
(2S)-2-[[4-(3-fluorophenyl)-2-methylbutanoyl]amino]-3-phenylpropanoic acid
CID 119366770

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid?
The IUPAC name of (2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid (CID 135362369) is (2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid is NC(Cc1ccccc1)C(=O)N[C@@H](Cc1cccc(F)c1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid?
The InChIKey is FJSAUCIVFOIGEP-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H19FN2O3/c19-14-8-4-7-13(9-14)11-16(18(23)24)21-17(22)15(20)10-12-5-2-1-3-6-12/h1-9,15-16H,10-11,20H2,(H,21,22)(H,23,24)/t15?,16-/m0/s1.
What are the key properties of (2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid?
(2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid has a molecular weight of 330.36 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-amino-3-phenylpropanoyl)amino]-3-(3-fluorophenyl)propanoic acid is sourced from PubChem (CID 135362369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).