butan-2-yl 2-amino-3-methylpentanoate

C10H21NO2 — CID 60903336

IUPACbutan-2-yl 2-amino-3-methylpentanoate
SMILESCCC(C)OC(=O)C(N)C(C)CC
InChIInChI=1S/C10H21NO2/c1-5-7(3)9(11)10(12)13-8(4)6-2/h7-9H,5-6,11H2,1-4H3
InChIKeyYMENNFVAHCOKNZ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.70
Rot. Bonds5

About butan-2-yl 2-amino-3-methylpentanoate

butan-2-yl 2-amino-3-methylpentanoate (PubChem CID 60903336) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is butan-2-yl 2-amino-3-methylpentanoate.

Molecular Properties

Compound Namebutan-2-yl 2-amino-3-methylpentanoate
PubChem CID60903336
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namebutan-2-yl 2-amino-3-methylpentanoate
SMILESCCC(C)OC(=O)C(N)C(C)CC
InChIInChI=1S/C10H21NO2/c1-5-7(3)9(11)10(12)13-8(4)6-2/h7-9H,5-6,11H2,1-4H3
InChIKeyYMENNFVAHCOKNZ-UHFFFAOYSA-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

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Related Compounds

butan-2-yl (2R)-2-aminopropanoate
CID 45086644
butan-2-yl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 57119421
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
(2S,3R)-2-amino-3-[(2S,3S)-2-amino-3-methylpentanoyl]oxybutanoic acid
CID 54372856
2-amino-3-methylpentanoic acid;hydrochloride
CID 13000955
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
[(2R)-butan-2-yl] (2R)-2-methylpentanoate
CID 173085565
butan-2-yl 2-chloropropanoate
CID 519977
chloro (2S,3S)-2-amino-3-methylpentanoate
CID 87588492
dibutan-2-yl 2,4-dimethylpentanedioate
CID 588548
butan-2-yl 2-amino-3-sulfanylpropanoate
CID 60904086

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-amino-3-methylpentanoate?
The IUPAC name of butan-2-yl 2-amino-3-methylpentanoate (CID 60903336) is butan-2-yl 2-amino-3-methylpentanoate.
What is the SMILES notation for butan-2-yl 2-amino-3-methylpentanoate?
The canonical SMILES for butan-2-yl 2-amino-3-methylpentanoate is CCC(C)OC(=O)C(N)C(C)CC.
What is the InChIKey of butan-2-yl 2-amino-3-methylpentanoate?
The InChIKey is YMENNFVAHCOKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-7(3)9(11)10(12)13-8(4)6-2/h7-9H,5-6,11H2,1-4H3.
What are the key properties of butan-2-yl 2-amino-3-methylpentanoate?
butan-2-yl 2-amino-3-methylpentanoate 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 butan-2-yl 2-amino-3-methylpentanoate is sourced from PubChem (CID 60903336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).