propan-2-yl (2R)-3-amino-2-methylbutanoate

C8H17NO2 — CID 154999103

IUPACpropan-2-yl (2R)-3-amino-2-methylbutanoate
SMILESCC(C)OC(=O)[C@H](C)C(C)N
InChIInChI=1S/C8H17NO2/c1-5(2)11-8(10)6(3)7(4)9/h5-7H,9H2,1-4H3/t6-,7?/m1/s1
InChIKeyIHPGIQXPPJDCNE-ULUSZKPHSA-N
MW159.23 g/mol
LogP0.92
Rot. Bonds3

About propan-2-yl (2R)-3-amino-2-methylbutanoate

propan-2-yl (2R)-3-amino-2-methylbutanoate (PubChem CID 154999103) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is propan-2-yl (2R)-3-amino-2-methylbutanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-3-amino-2-methylbutanoate
PubChem CID154999103
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Namepropan-2-yl (2R)-3-amino-2-methylbutanoate
SMILESCC(C)OC(=O)[C@H](C)C(C)N
InChIInChI=1S/C8H17NO2/c1-5(2)11-8(10)6(3)7(4)9/h5-7H,9H2,1-4H3/t6-,7?/m1/s1
InChIKeyIHPGIQXPPJDCNE-ULUSZKPHSA-N
XLogP0.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl (2S)-2-aminopropanoate
CID 13089460
dipropan-2-yl 2-aminopropanedioate
CID 141226348
propan-2-yl 2-aminopropanoate
CID 11804791
propan-2-yl 2,3-dimethyl-4-oxopentanoate
CID 142729919
methyl (2S,3S)-3-amino-2-methylbutanoate
CID 55285448
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
hydron;propan-2-yl (2S)-2-aminopropanoate;chloride
CID 173116569
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
propan-2-amine;propan-2-yl hydrogen carbonate
CID 173023636
propan-2-yl 2,3-diaminopropanoate
CID 141295176
CID 145193222
CID 145193222
propan-2-yl (2S)-2-hydroxy-3-methylbutanoate
CID 87171690

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-3-amino-2-methylbutanoate?
The IUPAC name of propan-2-yl (2R)-3-amino-2-methylbutanoate (CID 154999103) is propan-2-yl (2R)-3-amino-2-methylbutanoate.
What is the SMILES notation for propan-2-yl (2R)-3-amino-2-methylbutanoate?
The canonical SMILES for propan-2-yl (2R)-3-amino-2-methylbutanoate is CC(C)OC(=O)[C@H](C)C(C)N.
What is the InChIKey of propan-2-yl (2R)-3-amino-2-methylbutanoate?
The InChIKey is IHPGIQXPPJDCNE-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H17NO2/c1-5(2)11-8(10)6(3)7(4)9/h5-7H,9H2,1-4H3/t6-,7?/m1/s1.
What are the key properties of propan-2-yl (2R)-3-amino-2-methylbutanoate?
propan-2-yl (2R)-3-amino-2-methylbutanoate has a molecular weight of 159.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-3-amino-2-methylbutanoate is sourced from PubChem (CID 154999103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).