azane;butan-1-ol;2-hydroxyacetic acid

C6H17NO4 — CID 173398964

IUPACazane;butan-1-ol;2-hydroxyacetic acid
SMILESCCCCO.N.O=C(O)CO
InChIInChI=1S/C4H10O.C2H4O3.H3N/c1-2-3-4-5;3-1-2(4)5;/h5H,2-4H2,1H3;3H,1H2,(H,4,5);1H3
InChIKeyPXBBZYGHUPKOIW-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.00
Rot. Bonds3

About azane;butan-1-ol;2-hydroxyacetic acid

azane;butan-1-ol;2-hydroxyacetic acid (PubChem CID 173398964) has the molecular formula C6H17NO4 and a molecular weight of 167.21 g/mol. Its IUPAC name is azane;butan-1-ol;2-hydroxyacetic acid.

Molecular Properties

Compound Nameazane;butan-1-ol;2-hydroxyacetic acid
PubChem CID173398964
Molecular FormulaC6H17NO4
Molecular Weight167.21 g/mol
Exact Mass167.12
IUPAC Nameazane;butan-1-ol;2-hydroxyacetic acid
SMILESCCCCO.N.O=C(O)CO
InChIInChI=1S/C4H10O.C2H4O3.H3N/c1-2-3-4-5;3-1-2(4)5;/h5H,2-4H2,1H3;3H,1H2,(H,4,5);1H3
InChIKeyPXBBZYGHUPKOIW-UHFFFAOYSA-N
XLogP0.00
TPSA112.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

butan-1-ol;propanedioic acid
CID 174602760
butane;butan-1-ol
CID 19774960
butan-1-ol;decanedioic acid
CID 174423562
azane;butan-1-ol;propan-1-ol
CID 87249235
butan-1-ol
CID 20532113
(1,2,3,4-13C4)butan-1-ol
CID 71309697
bis(butan-1-ol);hafnium;bis(propan-2-one)
CID 174752199
octadecan-1-ol;propanoic acid
CID 158858583
tetrakis(butan-1-ol);oxozirconium
CID 173370140
butan-1-ol;bis(3-sulfanylpropanoic acid)
CID 175949702
butan-1-ol;octadecanoic acid;zirconium
CID 141168170
butan-1-ol;4-oxopentanoic acid
CID 175236789

Frequently Asked Questions

What is the IUPAC name of azane;butan-1-ol;2-hydroxyacetic acid?
The IUPAC name of azane;butan-1-ol;2-hydroxyacetic acid (CID 173398964) is azane;butan-1-ol;2-hydroxyacetic acid.
What is the SMILES notation for azane;butan-1-ol;2-hydroxyacetic acid?
The canonical SMILES for azane;butan-1-ol;2-hydroxyacetic acid is CCCCO.N.O=C(O)CO.
What is the InChIKey of azane;butan-1-ol;2-hydroxyacetic acid?
The InChIKey is PXBBZYGHUPKOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.C2H4O3.H3N/c1-2-3-4-5;3-1-2(4)5;/h5H,2-4H2,1H3;3H,1H2,(H,4,5);1H3.
What are the key properties of azane;butan-1-ol;2-hydroxyacetic acid?
azane;butan-1-ol;2-hydroxyacetic acid has a molecular weight of 167.21 g/mol, XLogP of 0.00, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butan-1-ol;2-hydroxyacetic acid is sourced from PubChem (CID 173398964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).