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

C10H21NO2 — CID 102982424

IUPACpentan-2-yl (2R)-2-amino-3-methylbutanoate
SMILESCCCC(C)OC(=O)[C@H](N)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-6-8(4)13-10(12)9(11)7(2)3/h7-9H,5-6,11H2,1-4H3/t8?,9-/m1/s1
InChIKeyBFLDRDYXLQJOPR-YGPZHTELSA-N
MW187.28 g/mol
LogP1.70
Rot. Bonds5

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

pentan-2-yl (2R)-2-amino-3-methylbutanoate (PubChem CID 102982424) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is pentan-2-yl (2R)-2-amino-3-methylbutanoate.

Molecular Properties

Compound Namepentan-2-yl (2R)-2-amino-3-methylbutanoate
PubChem CID102982424
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namepentan-2-yl (2R)-2-amino-3-methylbutanoate
SMILESCCCC(C)OC(=O)[C@H](N)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-6-8(4)13-10(12)9(11)7(2)3/h7-9H,5-6,11H2,1-4H3/t8?,9-/m1/s1
InChIKeyBFLDRDYXLQJOPR-YGPZHTELSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze pentan-2-yl (2R)-2-amino-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-pentan-2-yl] (2S)-2-aminopropanoate
CID 118034271
pentan-2-yl (2S)-2-aminopentanoate
CID 107565809
pentan-2-yl (2S)-4-amino-2-hydroxybutanoate
CID 107837685
[(2S)-1-methoxypropan-2-yl] 2-amino-3-methylbutanoate;hydrochloride
CID 122538818
[(2R)-butan-2-yl] (2R)-2-methylpentanoate
CID 173085565
1-hydroxyethyl 2-amino-3-methylbutanoate
CID 87071351
[4-(2-amino-3-methylbutanoyl)oxy-4-methylpentan-2-yl] 2-amino-3-methylbutanoate
CID 170203157
1-oxohexan-2-yl (2S)-2-amino-3-methylbutanoate
CID 54205503
azane;pentan-2-yl acetate
CID 174372937
5-hydroxy-6-oxo-6-pentan-2-yloxyhexanoic acid
CID 141161540
2-methoxy-3-oxo-3-pentan-2-yloxypropanoic acid
CID 141161472
butan-2-yl 2-amino-3-methylpentanoate
CID 60903336

Frequently Asked Questions

What is the IUPAC name of pentan-2-yl (2R)-2-amino-3-methylbutanoate?
The IUPAC name of pentan-2-yl (2R)-2-amino-3-methylbutanoate (CID 102982424) is pentan-2-yl (2R)-2-amino-3-methylbutanoate.
What is the SMILES notation for pentan-2-yl (2R)-2-amino-3-methylbutanoate?
The canonical SMILES for pentan-2-yl (2R)-2-amino-3-methylbutanoate is CCCC(C)OC(=O)[C@H](N)C(C)C.
What is the InChIKey of pentan-2-yl (2R)-2-amino-3-methylbutanoate?
The InChIKey is BFLDRDYXLQJOPR-YGPZHTELSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-6-8(4)13-10(12)9(11)7(2)3/h7-9H,5-6,11H2,1-4H3/t8?,9-/m1/s1.
What are the key properties of pentan-2-yl (2R)-2-amino-3-methylbutanoate?
pentan-2-yl (2R)-2-amino-3-methylbutanoate has a molecular weight of 187.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-2-yl (2R)-2-amino-3-methylbutanoate is sourced from PubChem (CID 102982424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).