3-methylbutyl (2S)-2-amino-3-methylpentanoate

C11H23NO2 — CID 61279066

IUPAC3-methylbutyl (2S)-2-amino-3-methylpentanoate
SMILESCCC(C)[C@H](N)C(=O)OCCC(C)C
InChIInChI=1S/C11H23NO2/c1-5-9(4)10(12)11(13)14-7-6-8(2)3/h8-10H,5-7,12H2,1-4H3/t9?,10-/m0/s1
InChIKeyRPALPICPDYRPLX-AXDSSHIGSA-N
MW201.31 g/mol
LogP1.95
Rot. Bonds6

About 3-methylbutyl (2S)-2-amino-3-methylpentanoate

3-methylbutyl (2S)-2-amino-3-methylpentanoate (PubChem CID 61279066) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methylbutyl (2S)-2-amino-3-methylpentanoate.

Molecular Properties

Compound Name3-methylbutyl (2S)-2-amino-3-methylpentanoate
PubChem CID61279066
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methylbutyl (2S)-2-amino-3-methylpentanoate
SMILESCCC(C)[C@H](N)C(=O)OCCC(C)C
InChIInChI=1S/C11H23NO2/c1-5-9(4)10(12)11(13)14-7-6-8(2)3/h8-10H,5-7,12H2,1-4H3/t9?,10-/m0/s1
InChIKeyRPALPICPDYRPLX-AXDSSHIGSA-N
XLogP1.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylbutyl 2-hydroxybutanoate
CID 14923813
dodecyl (2S)-2-amino-3-methylpentanoate
CID 88628969
tetradecyl (2S,3R)-2-amino-3-methylpentanoate
CID 6451751
2-propoxyethyl 2-amino-3-methylpentanoate
CID 63684873
ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
2-cyclopropylethyl 2-amino-3-methylpentanoate
CID 106202709
2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
CID 106202505
sodium;hexadecyl (2S,3S)-2-amino-3-methylpentanoate;hydride
CID 174767625
2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350
chloro (2S,3S)-2-amino-3-methylpentanoate
CID 87588492
(2S)-2-amino-3-methylpentanamide
CID 10290817
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl (2S)-2-amino-3-methylpentanoate?
The IUPAC name of 3-methylbutyl (2S)-2-amino-3-methylpentanoate (CID 61279066) is 3-methylbutyl (2S)-2-amino-3-methylpentanoate.
What is the SMILES notation for 3-methylbutyl (2S)-2-amino-3-methylpentanoate?
The canonical SMILES for 3-methylbutyl (2S)-2-amino-3-methylpentanoate is CCC(C)[C@H](N)C(=O)OCCC(C)C.
What is the InChIKey of 3-methylbutyl (2S)-2-amino-3-methylpentanoate?
The InChIKey is RPALPICPDYRPLX-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-9(4)10(12)11(13)14-7-6-8(2)3/h8-10H,5-7,12H2,1-4H3/t9?,10-/m0/s1.
What are the key properties of 3-methylbutyl (2S)-2-amino-3-methylpentanoate?
3-methylbutyl (2S)-2-amino-3-methylpentanoate has a molecular weight of 201.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl (2S)-2-amino-3-methylpentanoate is sourced from PubChem (CID 61279066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).