2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid

C12H27N3O8 — CID 174818632

IUPAC2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid
SMILESCCCNC(CCO)C(=O)O.NC(CO)C(=O)O.NCC(=O)O
InChIInChI=1S/C7H15NO3.C3H7NO3.C2H5NO2/c1-2-4-8-6(3-5-9)7(10)11;4-2(1-5)3(6)7;3-1-2(4)5/h6,8-9H,2-5H2,1H3,(H,10,11);2,5H,1,4H2,(H,6,7);1,3H2,(H,4,5)
InChIKeyKPXFCQQIHVUIJF-UHFFFAOYSA-N
MW341.36 g/mol
LogP-2.76
Rot. Bonds9

About 2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid

2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid (PubChem CID 174818632) has the molecular formula C12H27N3O8 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid
PubChem CID174818632
Molecular FormulaC12H27N3O8
Molecular Weight341.36 g/mol
Exact Mass341.18
IUPAC Name2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid
SMILESCCCNC(CCO)C(=O)O.NC(CO)C(=O)O.NCC(=O)O
InChIInChI=1S/C7H15NO3.C3H7NO3.C2H5NO2/c1-2-4-8-6(3-5-9)7(10)11;4-2(1-5)3(6)7;3-1-2(4)5/h6,8-9H,2-5H2,1H3,(H,10,11);2,5H,1,4H2,(H,6,7);1,3H2,(H,4,5)
InChIKeyKPXFCQQIHVUIJF-UHFFFAOYSA-N
XLogP-2.76
TPSA216.43 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.36
LogP ≤ 5-2.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
2-amino-3-hydroxybutanoic acid;4-hydroxy-2-(propylamino)butanoic acid;zinc
CID 174949324
azane;4-hydroxy-2-(propylamino)butanoic acid;hydrate;hydrochloride
CID 174910345
4-hydroxy-2-(propylamino)butanoic acid;pentane-1,1-diamine
CID 174939925
(2S)-4-hydroxy-2-(propylamino)butanoic acid;sulfuric acid
CID 172821173
disodium;(2S)-4-hydroxy-2-(propylamino)butanoic acid;carbonate
CID 161259430
bis(2-amino-3-phenylpropanoic acid);4-hydroxy-2-(propylamino)butanoic acid
CID 174963682
octakis(2-aminoacetic acid);bis((2S)-2-amino-3-hydroxypropanoic acid)
CID 157446719
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);2-amino-3-methylpentanoic acid;azane;4-hydroxy-2-(propylamino)butanoic acid
CID 174521822
(2S)-2-amino-4-[[(1S)-1-carboxy-3-[[(1S)-1-carboxypropyl]amino]propyl]amino]butanoic acid
CID 87413291
4-ethoxy-2-(propylamino)butanoic acid
CID 63039311

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid?
The IUPAC name of 2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid (CID 174818632) is 2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid.
What is the SMILES notation for 2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid?
The canonical SMILES for 2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid is CCCNC(CCO)C(=O)O.NC(CO)C(=O)O.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid?
The InChIKey is KPXFCQQIHVUIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.C3H7NO3.C2H5NO2/c1-2-4-8-6(3-5-9)7(10)11;4-2(1-5)3(6)7;3-1-2(4)5/h6,8-9H,2-5H2,1H3,(H,10,11);2,5H,1,4H2,(H,6,7);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid?
2-aminoacetic acid;2-amino-3-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid has a molecular weight of 341.36 g/mol, XLogP of -2.76, 9 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-hydroxypropanoic acid;4-hydroxy-2-(propylamino)butanoic acid is sourced from PubChem (CID 174818632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).