butan-2-yl (2R)-2-aminopropanoate

C7H15NO2 — CID 45086644

IUPACbutan-2-yl (2R)-2-aminopropanoate
SMILESCCC(C)OC(=O)[C@@H](C)N
InChIInChI=1S/C7H15NO2/c1-4-5(2)10-7(9)6(3)8/h5-6H,4,8H2,1-3H3/t5?,6-/m1/s1
InChIKeyFMESLAHRVPLGSJ-PRJDIBJQSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds3

About butan-2-yl (2R)-2-aminopropanoate

butan-2-yl (2R)-2-aminopropanoate (PubChem CID 45086644) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is butan-2-yl (2R)-2-aminopropanoate.

Molecular Properties

Compound Namebutan-2-yl (2R)-2-aminopropanoate
PubChem CID45086644
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Namebutan-2-yl (2R)-2-aminopropanoate
SMILESCCC(C)OC(=O)[C@@H](C)N
InChIInChI=1S/C7H15NO2/c1-4-5(2)10-7(9)6(3)8/h5-6H,4,8H2,1-3H3/t5?,6-/m1/s1
InChIKeyFMESLAHRVPLGSJ-PRJDIBJQSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
butan-2-yl 2-amino-3-methylpentanoate
CID 60903336
butan-2-yl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 57119421
1-aminopropan-2-yl (2S)-2-aminopropanoate;hydrobromide
CID 88792060
dibutan-2-yl 2,4-dimethylpentanedioate
CID 588548
butan-2-yl 2-chloropropanoate
CID 519977
1-O-butan-2-yl 3-O-methyl 2-aminopropanedioate
CID 54092153
butan-2-yl 2-amino-3-sulfanylpropanoate
CID 60904086
butan-2-yl (2R)-2-amino-4-hydroxybutanoate
CID 107825312
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
[(2R)-butan-2-yl] (2R)-2-methylpentanoate
CID 173085565

Frequently Asked Questions

What is the IUPAC name of butan-2-yl (2R)-2-aminopropanoate?
The IUPAC name of butan-2-yl (2R)-2-aminopropanoate (CID 45086644) is butan-2-yl (2R)-2-aminopropanoate.
What is the SMILES notation for butan-2-yl (2R)-2-aminopropanoate?
The canonical SMILES for butan-2-yl (2R)-2-aminopropanoate is CCC(C)OC(=O)[C@@H](C)N.
What is the InChIKey of butan-2-yl (2R)-2-aminopropanoate?
The InChIKey is FMESLAHRVPLGSJ-PRJDIBJQSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4-5(2)10-7(9)6(3)8/h5-6H,4,8H2,1-3H3/t5?,6-/m1/s1.
What are the key properties of butan-2-yl (2R)-2-aminopropanoate?
butan-2-yl (2R)-2-aminopropanoate has a molecular weight of 145.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl (2R)-2-aminopropanoate is sourced from PubChem (CID 45086644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).