methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate

C15H25NO4 — CID 140659008

IUPACmethyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)C1=C(C)[C@@H](NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO4/c1-9-11(10(2)13(17)19-6)7-8-12(9)16-14(18)20-15(3,4)5/h10,12H,7-8H2,1-6H3,(H,16,18)/t10-,12-/m0/s1
InChIKeyZOAOQOPVZCFASX-JQWIXIFHSA-N
MW283.37 g/mol
LogP2.80
Rot. Bonds3

About methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate

methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate (PubChem CID 140659008) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate
PubChem CID140659008
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate
SMILESCOC(=O)[C@@H](C)C1=C(C)[C@@H](NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H25NO4/c1-9-11(10(2)13(17)19-6)7-8-12(9)16-14(18)20-15(3,4)5/h10,12H,7-8H2,1-6H3,(H,16,18)/t10-,12-/m0/s1
InChIKeyZOAOQOPVZCFASX-JQWIXIFHSA-N
XLogP2.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-4-methyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexylidene]amino]pentanoate
CID 10688531
methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate
CID 611542
tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
CID 129026517
tert-butyl N-[(1S)-2-iminocyclohexyl]carbamate
CID 118130143
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-oxocyclohexyl)acetate
CID 58911914
tert-butyl N-[(1Z,2S)-1-amino-1-(2-methylcyclobutylidene)propan-2-yl]carbamate
CID 163918974
methyl (2S)-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]amino]propanoate
CID 80560632
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;trifluoromethylcyclohexane
CID 156835510
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate?
The IUPAC name of methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate (CID 140659008) is methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate.
What is the SMILES notation for methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate?
The canonical SMILES for methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate is COC(=O)[C@@H](C)C1=C(C)[C@@H](NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate?
The InChIKey is ZOAOQOPVZCFASX-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H25NO4/c1-9-11(10(2)13(17)19-6)7-8-12(9)16-14(18)20-15(3,4)5/h10,12H,7-8H2,1-6H3,(H,16,18)/t10-,12-/m0/s1.
What are the key properties of methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate?
methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate has a molecular weight of 283.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3S)-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl]propanoate is sourced from PubChem (CID 140659008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).