butane;3-hydroxypropanoic acid

C7H16O3 — CID 87992662

IUPACbutane;3-hydroxypropanoic acid
SMILESCCCC.O=C(O)CCO
InChIInChI=1S/C4H10.C3H6O3/c1-3-4-2;4-2-1-3(5)6/h3-4H2,1-2H3;4H,1-2H2,(H,5,6)
InChIKeyQPZGGEMTYUUKLL-UHFFFAOYSA-N
MW148.20 g/mol
LogP1.26
Rot. Bonds3

About butane;3-hydroxypropanoic acid

butane;3-hydroxypropanoic acid (PubChem CID 87992662) has the molecular formula C7H16O3 and a molecular weight of 148.20 g/mol. Its IUPAC name is butane;3-hydroxypropanoic acid.

Molecular Properties

Compound Namebutane;3-hydroxypropanoic acid
PubChem CID87992662
Molecular FormulaC7H16O3
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Namebutane;3-hydroxypropanoic acid
SMILESCCCC.O=C(O)CCO
InChIInChI=1S/C4H10.C3H6O3/c1-3-4-2;4-2-1-3(5)6/h3-4H2,1-2H3;4H,1-2H2,(H,5,6)
InChIKeyQPZGGEMTYUUKLL-UHFFFAOYSA-N
XLogP1.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butanoic acid;3-hydroxypropanoic acid
CID 87339228
bismuthane;3-hydroxypropanoic acid
CID 173193859
butane;butanedioic acid
CID 158477539
bis(3-hydroxypropanoic acid);oxotitanium
CID 58999446
dichloromethane;3-hydroxypropanoic acid
CID 87483179
pentanoic acid;propan-1-ol
CID 87061359
butane-1,4-diol;butanoic acid
CID 86642179
2-[bis(2-hydroxyethyl)amino]ethanol;butanoic acid
CID 13094119
acetonitrile;azane;3-hydroxypropanoic acid
CID 173223409
butanoic acid;heptahydrofluoride
CID 172757824
dialuminum;butanoic acid
CID 175897781
butanoic acid;dihydrochloride
CID 173423767

Frequently Asked Questions

What is the IUPAC name of butane;3-hydroxypropanoic acid?
The IUPAC name of butane;3-hydroxypropanoic acid (CID 87992662) is butane;3-hydroxypropanoic acid.
What is the SMILES notation for butane;3-hydroxypropanoic acid?
The canonical SMILES for butane;3-hydroxypropanoic acid is CCCC.O=C(O)CCO.
What is the InChIKey of butane;3-hydroxypropanoic acid?
The InChIKey is QPZGGEMTYUUKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H6O3/c1-3-4-2;4-2-1-3(5)6/h3-4H2,1-2H3;4H,1-2H2,(H,5,6).
What are the key properties of butane;3-hydroxypropanoic acid?
butane;3-hydroxypropanoic acid has a molecular weight of 148.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;3-hydroxypropanoic acid is sourced from PubChem (CID 87992662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).