butan-2-yl (2R)-2-amino-4-hydroxybutanoate

C8H17NO3 — CID 107825312

IUPACbutan-2-yl (2R)-2-amino-4-hydroxybutanoate
SMILESCCC(C)OC(=O)[C@H](N)CCO
InChIInChI=1S/C8H17NO3/c1-3-6(2)12-8(11)7(9)4-5-10/h6-7,10H,3-5,9H2,1-2H3/t6?,7-/m1/s1
InChIKeyLRXRIKDASIAVBZ-COBSHVIPSA-N
MW175.23 g/mol
LogP0.04
Rot. Bonds5

About butan-2-yl (2R)-2-amino-4-hydroxybutanoate

butan-2-yl (2R)-2-amino-4-hydroxybutanoate (PubChem CID 107825312) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is butan-2-yl (2R)-2-amino-4-hydroxybutanoate.

Molecular Properties

Compound Namebutan-2-yl (2R)-2-amino-4-hydroxybutanoate
PubChem CID107825312
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Namebutan-2-yl (2R)-2-amino-4-hydroxybutanoate
SMILESCCC(C)OC(=O)[C@H](N)CCO
InChIInChI=1S/C8H17NO3/c1-3-6(2)12-8(11)7(9)4-5-10/h6-7,10H,3-5,9H2,1-2H3/t6?,7-/m1/s1
InChIKeyLRXRIKDASIAVBZ-COBSHVIPSA-N
XLogP0.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

dibutan-2-yl (2S)-2-aminopentanedioate
CID 22826603
1-methoxypropan-2-yl (2S)-2-amino-4-hydroxybutanoate
CID 107825394
butan-2-yl 2-amino-3-sulfanylpropanoate
CID 60904086
butan-2-yl (2R)-2-aminopropanoate
CID 45086644
pentan-2-yl (2S)-2-aminopentanoate
CID 107565809
butan-2-yl 2-chloropropanoate
CID 519977
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
butan-2-yl 2-amino-3-methylpentanoate
CID 60903336
butan-2-yl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 57119421
[(2R)-butan-2-yl] (2R)-2-methylpentanoate
CID 173085565
2-methylpropyl (2R)-2-amino-4-hydroxybutanoate
CID 107825334

Frequently Asked Questions

What is the IUPAC name of butan-2-yl (2R)-2-amino-4-hydroxybutanoate?
The IUPAC name of butan-2-yl (2R)-2-amino-4-hydroxybutanoate (CID 107825312) is butan-2-yl (2R)-2-amino-4-hydroxybutanoate.
What is the SMILES notation for butan-2-yl (2R)-2-amino-4-hydroxybutanoate?
The canonical SMILES for butan-2-yl (2R)-2-amino-4-hydroxybutanoate is CCC(C)OC(=O)[C@H](N)CCO.
What is the InChIKey of butan-2-yl (2R)-2-amino-4-hydroxybutanoate?
The InChIKey is LRXRIKDASIAVBZ-COBSHVIPSA-N. The full InChI is InChI=1S/C8H17NO3/c1-3-6(2)12-8(11)7(9)4-5-10/h6-7,10H,3-5,9H2,1-2H3/t6?,7-/m1/s1.
What are the key properties of butan-2-yl (2R)-2-amino-4-hydroxybutanoate?
butan-2-yl (2R)-2-amino-4-hydroxybutanoate has a molecular weight of 175.23 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl (2R)-2-amino-4-hydroxybutanoate is sourced from PubChem (CID 107825312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).