2-aminoacetic acid;2-amino-3-phenylpropanoic acid

C11H16N2O4 — CID 22149659

IUPAC2-aminoacetic acid;2-amino-3-phenylpropanoic acid
SMILESNC(Cc1ccccc1)C(=O)O.NCC(=O)O
InChIInChI=1S/C9H11NO2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);1,3H2,(H,4,5)
InChIKeyDQSIXGDDUJJEQH-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.33
Rot. Bonds4

About 2-aminoacetic acid;2-amino-3-phenylpropanoic acid

2-aminoacetic acid;2-amino-3-phenylpropanoic acid (PubChem CID 22149659) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-amino-3-phenylpropanoic acid
PubChem CID22149659
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-aminoacetic acid;2-amino-3-phenylpropanoic acid
SMILESNC(Cc1ccccc1)C(=O)O.NCC(=O)O
InChIInChI=1S/C9H11NO2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);1,3H2,(H,4,5)
InChIKeyDQSIXGDDUJJEQH-UHFFFAOYSA-N
XLogP-0.33
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminoacetic acid;bis(2-amino-3-phenylpropanoic acid)
CID 19809864
2-aminoacetic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 22820957
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-aminoacetic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 66894742
(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
2-aminoacetic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 22323802
CID 70476310
CID 70476310
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-3-phenylpropanoic acid?
The IUPAC name of 2-aminoacetic acid;2-amino-3-phenylpropanoic acid (CID 22149659) is 2-aminoacetic acid;2-amino-3-phenylpropanoic acid.
What is the SMILES notation for 2-aminoacetic acid;2-amino-3-phenylpropanoic acid?
The canonical SMILES for 2-aminoacetic acid;2-amino-3-phenylpropanoic acid is NC(Cc1ccccc1)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-amino-3-phenylpropanoic acid?
The InChIKey is DQSIXGDDUJJEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C2H5NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7;3-1-2(4)5/h1-5,8H,6,10H2,(H,11,12);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-amino-3-phenylpropanoic acid?
2-aminoacetic acid;2-amino-3-phenylpropanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.33, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-amino-3-phenylpropanoic acid is sourced from PubChem (CID 22149659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).