methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate

C11H21NO2 — CID 103561384

IUPACmethyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CC(C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-7(2)9-5-10(6-9)12-8(3)11(13)14-4/h7-10,12H,5-6H2,1-4H3/t8-,9?,10?/m0/s1
InChIKeyHYIZYJOIIJLBIM-IDKOKCKLSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds4

About methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate

methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate (PubChem CID 103561384) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
PubChem CID103561384
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CC(C(C)C)C1
InChIInChI=1S/C11H21NO2/c1-7(2)9-5-10(6-9)12-8(3)11(13)14-4/h7-10,12H,5-6H2,1-4H3/t8-,9?,10?/m0/s1
InChIKeyHYIZYJOIIJLBIM-IDKOKCKLSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(3-aminocyclopentyl)amino]propanoate
CID 79462002
N,N-diethyl-2-[(3-propan-2-ylcyclobutyl)amino]propanamide
CID 103561513
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
methyl 2-[[3-(2-methoxyphenyl)cyclobutyl]amino]propanoate
CID 60780597
3-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881579
methyl 2-[[3-(3-chlorophenyl)cyclobutyl]amino]propanoate
CID 60780699
N-(3-propan-2-ylcyclobutyl)acetamide
CID 59410589
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
methyl 2-[(3,3-dimethylcyclopentyl)amino]propanoate
CID 80705486
methyl (2S)-2-[[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 7740869
methyl (2S)-2-[[(3S)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 40546545
methyl (2S)-2-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]propanoate
CID 104866700

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate (CID 103561384) is methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate is COC(=O)[C@H](C)NC1CC(C(C)C)C1.
What is the InChIKey of methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate?
The InChIKey is HYIZYJOIIJLBIM-IDKOKCKLSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)9-5-10(6-9)12-8(3)11(13)14-4/h7-10,12H,5-6H2,1-4H3/t8-,9?,10?/m0/s1.
What are the key properties of methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate?
methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate is sourced from PubChem (CID 103561384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).