acetic acid;azane;butanoic acid;2-hydroxypropanoic acid

C9H21NO7 — CID 172838065

IUPACacetic acid;azane;butanoic acid;2-hydroxypropanoic acid
SMILESCC(=O)O.CC(O)C(=O)O.CCCC(=O)O.N
InChIInChI=1S/C4H8O2.C3H6O3.C2H4O2.H3N/c1-2-3-4(5)6;1-2(4)3(5)6;1-2(3)4;/h2-3H2,1H3,(H,5,6);2,4H,1H3,(H,5,6);1H3,(H,3,4);1H3
InChIKeyWKQYWWMQXMSZGJ-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.58
Rot. Bonds3

About acetic acid;azane;butanoic acid;2-hydroxypropanoic acid

acetic acid;azane;butanoic acid;2-hydroxypropanoic acid (PubChem CID 172838065) has the molecular formula C9H21NO7 and a molecular weight of 255.27 g/mol. Its IUPAC name is acetic acid;azane;butanoic acid;2-hydroxypropanoic acid.

Molecular Properties

Compound Nameacetic acid;azane;butanoic acid;2-hydroxypropanoic acid
PubChem CID172838065
Molecular FormulaC9H21NO7
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC Nameacetic acid;azane;butanoic acid;2-hydroxypropanoic acid
SMILESCC(=O)O.CC(O)C(=O)O.CCCC(=O)O.N
InChIInChI=1S/C4H8O2.C3H6O3.C2H4O2.H3N/c1-2-3-4(5)6;1-2(4)3(5)6;1-2(3)4;/h2-3H2,1H3,(H,5,6);2,4H,1H3,(H,5,6);1H3,(H,3,4);1H3
InChIKeyWKQYWWMQXMSZGJ-UHFFFAOYSA-N
XLogP0.58
TPSA167.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

butanoic acid;2-methylpropanoic acid
CID 87150327
acetic acid;butanoic acid
CID 87533224
acetic acid;butanoic acid
CID 158263120
acetic acid;butanoic acid;propan-2-one
CID 88536932
azane;butanoic acid
CID 175057491
azane;butanoic acid
CID 173280540
1-aminoethanol;butanoic acid
CID 173051358
acetic acid;butanoic acid;3-methylbutanoic acid;2-methylpropanoic acid;propanoic acid
CID 172836544
butanoic acid;cyclohexane;propan-2-ol
CID 70428502
butanedioic acid;butane-1,1-diol;2-hydroxypropanoic acid
CID 175297548
acetic acid;butanoic acid;cyclohexane
CID 69297326
azane;butanoic acid;methanol;hydrate
CID 173179721

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;butanoic acid;2-hydroxypropanoic acid?
The IUPAC name of acetic acid;azane;butanoic acid;2-hydroxypropanoic acid (CID 172838065) is acetic acid;azane;butanoic acid;2-hydroxypropanoic acid.
What is the SMILES notation for acetic acid;azane;butanoic acid;2-hydroxypropanoic acid?
The canonical SMILES for acetic acid;azane;butanoic acid;2-hydroxypropanoic acid is CC(=O)O.CC(O)C(=O)O.CCCC(=O)O.N.
What is the InChIKey of acetic acid;azane;butanoic acid;2-hydroxypropanoic acid?
The InChIKey is WKQYWWMQXMSZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C3H6O3.C2H4O2.H3N/c1-2-3-4(5)6;1-2(4)3(5)6;1-2(3)4;/h2-3H2,1H3,(H,5,6);2,4H,1H3,(H,5,6);1H3,(H,3,4);1H3.
What are the key properties of acetic acid;azane;butanoic acid;2-hydroxypropanoic acid?
acetic acid;azane;butanoic acid;2-hydroxypropanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;butanoic acid;2-hydroxypropanoic acid is sourced from PubChem (CID 172838065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).