methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate

C13H24N2O4 — CID 80560632

IUPACmethyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-8(11(16)18-5)14-9-6-10(7-9)15-12(17)19-13(2,3)4/h8-10,14H,6-7H2,1-5H3,(H,15,17)/t8-,9?,10?/m0/s1
InChIKeyNUIWWIUQIWNKKE-IDKOKCKLSA-N
MW272.34 g/mol
LogP1.19
Rot. Bonds4

About methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate

methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate (PubChem CID 80560632) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
PubChem CID80560632
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H24N2O4/c1-8(11(16)18-5)14-9-6-10(7-9)15-12(17)19-13(2,3)4/h8-10,14H,6-7H2,1-5H3,(H,15,17)/t8-,9?,10?/m0/s1
InChIKeyNUIWWIUQIWNKKE-IDKOKCKLSA-N
XLogP1.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate with MolForge

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Related Compounds

tert-butyl N-[3-(1-cyclohexylethylamino)cyclobutyl]carbamate
CID 80560825
tert-butyl N-[3-(4-hydroxybutan-2-ylamino)cyclobutyl]carbamate
CID 83178088
tert-butyl N-[3-(1-methylsulfonylpropan-2-ylamino)cyclobutyl]carbamate
CID 80562119
tert-butyl N-[3-(6-methylheptan-2-ylamino)cyclobutyl]carbamate
CID 80559507
tert-butyl N-[3-(tert-butylamino)cyclobutyl]carbamate
CID 134462413
tert-butyl N-[3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]cyclobutyl]carbamate
CID 80560744
tert-butyl N-[3-[[(1R)-1-(4-methylphenyl)ethyl]amino]cyclobutyl]carbamate
CID 103790111
tert-butyl N-[(1S)-3-carbamothioylcyclopentyl]carbamate
CID 59028671
tert-butyl N-(3-sulfanylcyclobutyl)carbamate
CID 134473449
methyl (2S)-2-[(3-propan-2-ylcyclobutyl)amino]propanoate
CID 103561384
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(2,2-dimethoxyethylamino)cyclobutyl]carbamate
CID 80560818

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate (CID 80560632) is methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate is COC(=O)[C@H](C)NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate?
The InChIKey is NUIWWIUQIWNKKE-IDKOKCKLSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-8(11(16)18-5)14-9-6-10(7-9)15-12(17)19-13(2,3)4/h8-10,14H,6-7H2,1-5H3,(H,15,17)/t8-,9?,10?/m0/s1.
What are the key properties of methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate?
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate has a molecular weight of 272.34 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate is sourced from PubChem (CID 80560632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).