butyl 4-amino-2-hydroxybutanoate

C8H17NO3 — CID 107837486

IUPACbutyl 4-amino-2-hydroxybutanoate
SMILESCCCCOC(=O)C(O)CCN
InChIInChI=1S/C8H17NO3/c1-2-3-6-12-8(11)7(10)4-5-9/h7,10H,2-6,9H2,1H3
InChIKeyZHCXDYMQDYGLCU-UHFFFAOYSA-N
MW175.23 g/mol
LogP0.04
Rot. Bonds6

About butyl 4-amino-2-hydroxybutanoate

butyl 4-amino-2-hydroxybutanoate (PubChem CID 107837486) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is butyl 4-amino-2-hydroxybutanoate.

Molecular Properties

Compound Namebutyl 4-amino-2-hydroxybutanoate
PubChem CID107837486
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namebutyl 4-amino-2-hydroxybutanoate
SMILESCCCCOC(=O)C(O)CCN
InChIInChI=1S/C8H17NO3/c1-2-3-6-12-8(11)7(10)4-5-9/h7,10H,2-6,9H2,1H3
InChIKeyZHCXDYMQDYGLCU-UHFFFAOYSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

octadecyl 2-hydroxydocosanoate
CID 22753830
octacosyl 2-hydroxyoctadecanoate
CID 152554946
hexyl 2-hydroxyhexanoate;hydrochloride
CID 174906603
butyl 3-amino-2-iodopropanoate
CID 166968304
2-aminoethyl 2-methylpropanoate;butyl 2-methylpropanoate
CID 159728832
2-methylpentyl 4-amino-2-hydroxybutanoate
CID 107837690
5-hydroxyoctacosyl 2-hydroxyoctadecanoate
CID 160811798
ethyl 2-hydroxyheptanoate
CID 12743783
butyl 2-butylhexanoate;stannane
CID 172996715
tridecyl 2,3-dihydroxypropanoate
CID 141488973
tetradecyl 2,3-dihydroxypropanoate
CID 23624049
8-hydroxyoctyl 2-hydroxyoctadecanoate
CID 88959227

Frequently Asked Questions

What is the IUPAC name of butyl 4-amino-2-hydroxybutanoate?
The IUPAC name of butyl 4-amino-2-hydroxybutanoate (CID 107837486) is butyl 4-amino-2-hydroxybutanoate.
What is the SMILES notation for butyl 4-amino-2-hydroxybutanoate?
The canonical SMILES for butyl 4-amino-2-hydroxybutanoate is CCCCOC(=O)C(O)CCN.
What is the InChIKey of butyl 4-amino-2-hydroxybutanoate?
The InChIKey is ZHCXDYMQDYGLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-2-3-6-12-8(11)7(10)4-5-9/h7,10H,2-6,9H2,1H3.
What are the key properties of butyl 4-amino-2-hydroxybutanoate?
butyl 4-amino-2-hydroxybutanoate has a molecular weight of 175.23 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-amino-2-hydroxybutanoate is sourced from PubChem (CID 107837486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).