(2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid

C7H15NO4 — CID 139984127

IUPAC(2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)CC(O)CO
InChIInChI=1S/C7H15NO4/c1-5(7(11)12)8(2)3-6(10)4-9/h5-6,9-10H,3-4H2,1-2H3,(H,11,12)/t5-,6?/m0/s1
InChIKeyWDLKUXRIYJJQFS-ZBHICJROSA-N
MW177.20 g/mol
LogP-1.26
Rot. Bonds5

About (2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid

(2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid (PubChem CID 139984127) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid
PubChem CID139984127
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Name(2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid
SMILESC[C@@H](C(=O)O)N(C)CC(O)CO
InChIInChI=1S/C7H15NO4/c1-5(7(11)12)8(2)3-6(10)4-9/h5-6,9-10H,3-4H2,1-2H3,(H,11,12)/t5-,6?/m0/s1
InChIKeyWDLKUXRIYJJQFS-ZBHICJROSA-N
XLogP-1.26
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Propanoic acid, 3-[bis(carboxymethyl)amino]-2-hydroxy-
CID 9947830
Glycine, N-(carboxymethyl)-N-(2-hydroxypropyl)-
CID 13909069
2-(bis(2-hydroxyethyl)amino)propanoic Acid
CID 11745641
2,2'-[(2,3-Dihydroxypropyl)azanediyl]diacetic acid
CID 15775261
2-[1-Carboxyethyl(1-hydroxypropyl)amino]propanoic acid
CID 18435157
2-[1-Carboxyethyl(1-hydroxyethyl)amino]propanoic acid
CID 19860042
2-[Bis(1-hydroxyethyl)amino]propanoic acid
CID 20265907
2-[1-Carboxyethyl(2-hydroxyethyl)amino]propanoic acid
CID 21331282
Carboxymethyl-(2,3-dihydroxypropyl)-dimethylazanium
CID 22355187
2-[Ethyl(2-hydroxyethyl)amino]propanoic acid
CID 22683297
2-[Bis(2,3-dihydroxypropyl)amino]-2-methylpropanoic acid
CID 22902526
2-(2,3-Dihydroxypropylamino)propanoic acid
CID 23088915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid?
The IUPAC name of (2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid (CID 139984127) is (2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid is C[C@@H](C(=O)O)N(C)CC(O)CO.
What is the InChIKey of (2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid?
The InChIKey is WDLKUXRIYJJQFS-ZBHICJROSA-N. The full InChI is InChI=1S/C7H15NO4/c1-5(7(11)12)8(2)3-6(10)4-9/h5-6,9-10H,3-4H2,1-2H3,(H,11,12)/t5-,6?/m0/s1.
What are the key properties of (2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid?
(2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid has a molecular weight of 177.20 g/mol, XLogP of -1.26, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2,3-dihydroxypropyl(methyl)amino]propanoic acid is sourced from PubChem (CID 139984127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).