(2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid

C19H22N2O5 — CID 160773288

IUPAC(2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C10H11NO3.C9H11NO2/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6-7H2,(H,11,12)(H,13,14);1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1
InChIKeyRZPKXTLJVZIRND-WDBKTSHHSA-N
MW358.39 g/mol
LogP1.07
Rot. Bonds7

About (2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid

(2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid (PubChem CID 160773288) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid
PubChem CID160773288
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid
SMILESN[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C10H11NO3.C9H11NO2/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6-7H2,(H,11,12)(H,13,14);1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1
InChIKeyRZPKXTLJVZIRND-WDBKTSHHSA-N
XLogP1.07
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;phosphoric acid
CID 69256831
2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)
CID 19809864
2-aminoacetic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 22820957
2-aminoacetic acid;2-amino-3-phenylpropanoic acid
CID 22149659
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid?
The IUPAC name of (2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid (CID 160773288) is (2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid.
What is the SMILES notation for (2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid?
The canonical SMILES for (2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid is N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)CNC(=O)Cc1ccccc1.
What is the InChIKey of (2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid?
The InChIKey is RZPKXTLJVZIRND-WDBKTSHHSA-N. The full InChI is InChI=1S/C10H11NO3.C9H11NO2/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8;10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6-7H2,(H,11,12)(H,13,14);1-5,8H,6,10H2,(H,11,12)/t;8-/m.0/s1.
What are the key properties of (2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid?
(2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid has a molecular weight of 358.39 g/mol, XLogP of 1.07, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-phenylpropanoic acid;2-[(2-phenylacetyl)amino]acetic acid is sourced from PubChem (CID 160773288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).