2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid

C20H27N3O8 — CID 174879286

IUPAC2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid
SMILESCC(O)(Nc1ccccc1)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.NCC(=O)O
InChIInChI=1S/2C9H11NO3.C2H5NO2/c1-9(13,8(11)12)10-7-5-3-2-4-6-7;10-8(9(12)13)5-6-1-3-7(11)4-2-6;3-1-2(4)5/h2-6,10,13H,1H3,(H,11,12);1-4,8,11H,5,10H2,(H,12,13);1,3H2,(H,4,5)
InChIKeySAROUUAISNSWNU-UHFFFAOYSA-N
MW437.45 g/mol
LogP0.27
Rot. Bonds7

About 2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid

2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid (PubChem CID 174879286) has the molecular formula C20H27N3O8 and a molecular weight of 437.45 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid
PubChem CID174879286
Molecular FormulaC20H27N3O8
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid
SMILESCC(O)(Nc1ccccc1)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.NCC(=O)O
InChIInChI=1S/2C9H11NO3.C2H5NO2/c1-9(13,8(11)12)10-7-5-3-2-4-6-7;10-8(9(12)13)5-6-1-3-7(11)4-2-6;3-1-2(4)5/h2-6,10,13H,1H3,(H,11,12);1-4,8,11H,5,10H2,(H,12,13);1,3H2,(H,4,5)
InChIKeySAROUUAISNSWNU-UHFFFAOYSA-N
XLogP0.27
TPSA216.43 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.45
LogP ≤ 50.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-aminoacetic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 66894742
2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilinopropanoic acid
CID 77326953
2-aminoacetic acid;2-amino-3-phenylpropanoic acid
CID 22149659
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-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 77213477
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;sulfane
CID 161476497

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid?
The IUPAC name of 2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid (CID 174879286) is 2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid.
What is the SMILES notation for 2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid?
The canonical SMILES for 2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid is CC(O)(Nc1ccccc1)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid?
The InChIKey is SAROUUAISNSWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H11NO3.C2H5NO2/c1-9(13,8(11)12)10-7-5-3-2-4-6-7;10-8(9(12)13)5-6-1-3-7(11)4-2-6;3-1-2(4)5/h2-6,10,13H,1H3,(H,11,12);1-4,8,11H,5,10H2,(H,12,13);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid?
2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid has a molecular weight of 437.45 g/mol, XLogP of 0.27, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid;2-anilino-2-hydroxypropanoic acid is sourced from PubChem (CID 174879286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).