azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid

C5H13NO5 — CID 175336069

IUPACazane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid
SMILESCC(O)(OCCO)C(=O)O.N
InChIInChI=1S/C5H10O5.H3N/c1-5(9,4(7)8)10-3-2-6;/h6,9H,2-3H2,1H3,(H,7,8);1H3
InChIKeyYOIPQXOVZGJGQR-UHFFFAOYSA-N
MW167.16 g/mol
LogP-1.05
Rot. Bonds4

About azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid

azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid (PubChem CID 175336069) has the molecular formula C5H13NO5 and a molecular weight of 167.16 g/mol. Its IUPAC name is azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid.

Molecular Properties

Compound Nameazane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid
PubChem CID175336069
Molecular FormulaC5H13NO5
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Nameazane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid
SMILESCC(O)(OCCO)C(=O)O.N
InChIInChI=1S/C5H10O5.H3N/c1-5(9,4(7)8)10-3-2-6;/h6,9H,2-3H2,1H3,(H,7,8);1H3
InChIKeyYOIPQXOVZGJGQR-UHFFFAOYSA-N
XLogP-1.05
TPSA121.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethoxy)ethane-1,1-diol
CID 173404401
acetic acid;2-(1,1-diaminoethoxy)ethanol
CID 173101574
2-(2-hydroxyethoxy)-2-methylpropanamide
CID 173016422
2-[3-(2-hydroxyethoxy)-2,3-dimethylbutan-2-yl]oxyethanol
CID 12660638
2-[1,1-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 123380088
2-(2-hydroxyethoxy)-2,3-dimethylpentanoic acid
CID 103377553
2-(2-hydroxyethoxy)propane-1,2,3-tricarboxylic acid
CID 57221790
2-hydroxy-2-(2-hydroxyethoxy)-2-phenylacetic acid
CID 151085982
3-[3-(2-hydroxyethoxy)-3-methylbutoxy]-3-methylbutanoic acid
CID 166655528
(3R)-2,2,3,5-tetrahydroxy-3-methylpentanoic acid
CID 151869449
azane;5-hydroxy-2,2-dimethylpentanoic acid
CID 172678902
2-(2,3,4,4-tetramethylpentan-2-yloxy)ethanol
CID 142712531

Frequently Asked Questions

What is the IUPAC name of azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid?
The IUPAC name of azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid (CID 175336069) is azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid.
What is the SMILES notation for azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid?
The canonical SMILES for azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid is CC(O)(OCCO)C(=O)O.N.
What is the InChIKey of azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid?
The InChIKey is YOIPQXOVZGJGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O5.H3N/c1-5(9,4(7)8)10-3-2-6;/h6,9H,2-3H2,1H3,(H,7,8);1H3.
What are the key properties of azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid?
azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid has a molecular weight of 167.16 g/mol, XLogP of -1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-hydroxy-2-(2-hydroxyethoxy)propanoic acid is sourced from PubChem (CID 175336069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).