2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid

C14H24N3O10P — CID 67878894

IUPAC2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid
SMILESC[C@H](N)C(=O)O.NCC(=O)O.O=C(O)[C@H](Cc1ccc(O)cc1)NP(=O)(O)O
InChIInChI=1S/C9H12NO6P.C3H7NO2.C2H5NO2/c11-7-3-1-6(2-4-7)5-8(9(12)13)10-17(14,15)16;1-2(4)3(5)6;3-1-2(4)5/h1-4,8,11H,5H2,(H,12,13)(H3,10,14,15,16);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t8-;2-;/m00./s1
InChIKeyGOLIIWQPLKCAAJ-KHEUVVEUSA-N
MW425.33 g/mol
LogP-1.48
Rot. Bonds7

About 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid

2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid (PubChem CID 67878894) has the molecular formula C14H24N3O10P and a molecular weight of 425.33 g/mol. Its IUPAC name is 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid
PubChem CID67878894
Molecular FormulaC14H24N3O10P
Molecular Weight425.33 g/mol
Exact Mass425.12
IUPAC Name2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid
SMILESC[C@H](N)C(=O)O.NCC(=O)O.O=C(O)[C@H](Cc1ccc(O)cc1)NP(=O)(O)O
InChIInChI=1S/C9H12NO6P.C3H7NO2.C2H5NO2/c11-7-3-1-6(2-4-7)5-8(9(12)13)10-17(14,15)16;1-2(4)3(5)6;3-1-2(4)5/h1-4,8,11H,5H2,(H,12,13)(H3,10,14,15,16);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t8-;2-;/m00./s1
InChIKeyGOLIIWQPLKCAAJ-KHEUVVEUSA-N
XLogP-1.48
TPSA253.73 Ų
H-Bond Donors9
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 5-1.48
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-(4-hydroxyphenyl)propanoic acid;3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid
CID 67405469
(2R)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 13017548
2-[di(propan-2-yloxy)phosphorylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 15224756
2-(2-aminopropanoylamino)-3-(4-hydroxyphenyl)propanoic acid;hydrochloride
CID 171150433
(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]butanedioic acid
CID 145453703
(2S)-2-[(3-amino-2-methylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 55104944
2-[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]propanoylamino]-3-(4-hydroxyphenyl)propanoic acid
CID 19950038
4-(2-aminopropanoylamino)-5-[[4-carboxy-1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18234688
4-(2-aminopropanoylamino)-5-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-5-oxopentanoic acid
CID 18218358
(2R)-3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid;hydrochloride
CID 56845306
2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 77213477
2-[[2-[[2-(2-aminopropanoylamino)-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 18234551

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid?
The IUPAC name of 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid (CID 67878894) is 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid.
What is the SMILES notation for 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid?
The canonical SMILES for 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid is C[C@H](N)C(=O)O.NCC(=O)O.O=C(O)[C@H](Cc1ccc(O)cc1)NP(=O)(O)O.
What is the InChIKey of 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid?
The InChIKey is GOLIIWQPLKCAAJ-KHEUVVEUSA-N. The full InChI is InChI=1S/C9H12NO6P.C3H7NO2.C2H5NO2/c11-7-3-1-6(2-4-7)5-8(9(12)13)10-17(14,15)16;1-2(4)3(5)6;3-1-2(4)5/h1-4,8,11H,5H2,(H,12,13)(H3,10,14,15,16);2H,4H2,1H3,(H,5,6);1,3H2,(H,4,5)/t8-;2-;/m00./s1.
What are the key properties of 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid?
2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid has a molecular weight of 425.33 g/mol, XLogP of -1.48, 7 rotatable bonds, 9 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(2S)-2-aminopropanoic acid;(2S)-3-(4-hydroxyphenyl)-2-(phosphonoamino)propanoic acid is sourced from PubChem (CID 67878894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).