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

C15H25N3O8 — CID 77213477

IUPAC2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
SMILESCC(O)C(N)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.NCC(=O)O
InChIInChI=1S/C9H11NO3.C4H9NO3.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-2(6)3(5)4(7)8;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);2-3,6H,5H2,1H3,(H,7,8);1,3H2,(H,4,5)
InChIKeySLFAGUHVPXZENZ-UHFFFAOYSA-N
MW375.38 g/mol
LogP-1.84
Rot. Bonds6

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

2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid (PubChem CID 77213477) has the molecular formula C15H25N3O8 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
PubChem CID77213477
Molecular FormulaC15H25N3O8
Molecular Weight375.38 g/mol
Exact Mass375.16
IUPAC Name2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
SMILESCC(O)C(N)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.NCC(=O)O
InChIInChI=1S/C9H11NO3.C4H9NO3.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-2(6)3(5)4(7)8;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);2-3,6H,5H2,1H3,(H,7,8);1,3H2,(H,4,5)
InChIKeySLFAGUHVPXZENZ-UHFFFAOYSA-N
XLogP-1.84
TPSA230.42 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.38
LogP ≤ 5-1.84
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid
CID 173307065
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 67120739
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2R)-2-amino-3-methylbutanoic acid
CID 161457314
2-aminoacetic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanoic acid
CID 66894742
(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
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;methanamine;hydrochloride
CID 70404893
2-aminoacetic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;(2S)-2,4-diamino-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 173056253
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid
CID 67068661
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-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid?
The IUPAC name of 2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid (CID 77213477) is 2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid.
What is the SMILES notation for 2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid?
The canonical SMILES for 2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid is CC(O)C(N)C(=O)O.NC(Cc1ccc(O)cc1)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid?
The InChIKey is SLFAGUHVPXZENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.C4H9NO3.C2H5NO2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-2(6)3(5)4(7)8;3-1-2(4)5/h1-4,8,11H,5,10H2,(H,12,13);2-3,6H,5H2,1H3,(H,7,8);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid?
2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid has a molecular weight of 375.38 g/mol, XLogP of -1.84, 6 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-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid is sourced from PubChem (CID 77213477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).