acetic acid;2-(ethylamino)-3-hydroxypropanoic acid

C7H15NO5 — CID 87797197

IUPACacetic acid;2-(ethylamino)-3-hydroxypropanoic acid
SMILESCC(=O)O.CCNC(CO)C(=O)O
InChIInChI=1S/C5H11NO3.C2H4O2/c1-2-6-4(3-7)5(8)9;1-2(3)4/h4,6-7H,2-3H2,1H3,(H,8,9);1H3,(H,3,4)
InChIKeyXAENSYNFBRYGIS-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.87
Rot. Bonds4

About acetic acid;2-(ethylamino)-3-hydroxypropanoic acid

acetic acid;2-(ethylamino)-3-hydroxypropanoic acid (PubChem CID 87797197) has the molecular formula C7H15NO5 and a molecular weight of 193.20 g/mol. Its IUPAC name is acetic acid;2-(ethylamino)-3-hydroxypropanoic acid.

Molecular Properties

Compound Nameacetic acid;2-(ethylamino)-3-hydroxypropanoic acid
PubChem CID87797197
Molecular FormulaC7H15NO5
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Nameacetic acid;2-(ethylamino)-3-hydroxypropanoic acid
SMILESCC(=O)O.CCNC(CO)C(=O)O
InChIInChI=1S/C5H11NO3.C2H4O2/c1-2-6-4(3-7)5(8)9;1-2(3)4/h4,6-7H,2-3H2,1H3,(H,8,9);1H3,(H,3,4)
InChIKeyXAENSYNFBRYGIS-UHFFFAOYSA-N
XLogP-0.87
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
(2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid
CID 87118755
(2S)-2-(2,2-dihydroxyethylamino)-3-hydroxypropanoic acid
CID 141052833
3-hydroxy-2-(propanoylamino)propanoic acid
CID 11845678
2-acetamido-3-hydroxypropanoic acid;sulfane
CID 175323357
3-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)propanoic acid
CID 63699097

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(ethylamino)-3-hydroxypropanoic acid?
The IUPAC name of acetic acid;2-(ethylamino)-3-hydroxypropanoic acid (CID 87797197) is acetic acid;2-(ethylamino)-3-hydroxypropanoic acid.
What is the SMILES notation for acetic acid;2-(ethylamino)-3-hydroxypropanoic acid?
The canonical SMILES for acetic acid;2-(ethylamino)-3-hydroxypropanoic acid is CC(=O)O.CCNC(CO)C(=O)O.
What is the InChIKey of acetic acid;2-(ethylamino)-3-hydroxypropanoic acid?
The InChIKey is XAENSYNFBRYGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3.C2H4O2/c1-2-6-4(3-7)5(8)9;1-2(3)4/h4,6-7H,2-3H2,1H3,(H,8,9);1H3,(H,3,4).
What are the key properties of acetic acid;2-(ethylamino)-3-hydroxypropanoic acid?
acetic acid;2-(ethylamino)-3-hydroxypropanoic acid has a molecular weight of 193.20 g/mol, XLogP of -0.87, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(ethylamino)-3-hydroxypropanoic acid is sourced from PubChem (CID 87797197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).