2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid

C9H20N2O7 — CID 23451902

IUPAC2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
SMILESCNCC(=O)O.O=C(O)CNC(CO)(CO)CO
InChIInChI=1S/C6H13NO5.C3H7NO2/c8-2-6(3-9,4-10)7-1-5(11)12;1-4-2-3(5)6/h7-10H,1-4H2,(H,11,12);4H,2H2,1H3,(H,5,6)
InChIKeyJYODFYZTTHHPFG-UHFFFAOYSA-N
MW268.27 g/mol
LogP-3.33
Rot. Bonds8

About 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid

2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid (PubChem CID 23451902) has the molecular formula C9H20N2O7 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
PubChem CID23451902
Molecular FormulaC9H20N2O7
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Name2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid
SMILESCNCC(=O)O.O=C(O)CNC(CO)(CO)CO
InChIInChI=1S/C6H13NO5.C3H7NO2/c8-2-6(3-9,4-10)7-1-5(11)12;1-4-2-3(5)6/h7-10H,1-4H2,(H,11,12);4H,2H2,1H3,(H,5,6)
InChIKeyJYODFYZTTHHPFG-UHFFFAOYSA-N
XLogP-3.33
TPSA159.35 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.27
LogP ≤ 5-3.33
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic 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-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;λ2-stannane
CID 173200141
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;hydrochloride
CID 22311667
sodium;2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;azide
CID 175526347
tripotassium;hydride;2-(methylamino)acetic acid
CID 174232708
acetic acid;2-(methylamino)acetic acid;hydrochloride
CID 175814276
methyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetate
CID 54443820
tris(2-[bis(2-hydroxyethyl)amino]acetic acid);2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
CID 173011257
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-methylbut-2-enoic acid
CID 107853982
2-[[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]methyl]prop-2-enoic acid
CID 107853969
2-[[1-hydroxy-2-(hydroxymethyl)-3-phosphonooxypropan-2-yl]amino]acetic acid
CID 54524279
2-[[1-aminophosphanyloxy-3-hydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid
CID 88728987
2-(methylamino)acetic acid;2-methyl-2-(methyldisulfanyl)propane
CID 145362143

Frequently Asked Questions

What is the IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid?
The IUPAC name of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid (CID 23451902) is 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid.
What is the SMILES notation for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid?
The canonical SMILES for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid is CNCC(=O)O.O=C(O)CNC(CO)(CO)CO.
What is the InChIKey of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid?
The InChIKey is JYODFYZTTHHPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5.C3H7NO2/c8-2-6(3-9,4-10)7-1-5(11)12;1-4-2-3(5)6/h7-10H,1-4H2,(H,11,12);4H,2H2,1H3,(H,5,6).
What are the key properties of 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid?
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid has a molecular weight of 268.27 g/mol, XLogP of -3.33, 8 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(methylamino)acetic acid is sourced from PubChem (CID 23451902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).