cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

C12H21NO4 — CID 18453419

IUPACcis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9+/m0/s1
InChIKeyZZGMDDXYOHHJMT-DTWKUNHWSA-N
MW243.30 g/mol
LogP1.85
Rot. Bonds2

About cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate

cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate (PubChem CID 18453419) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
PubChem CID18453419
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namecis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9+/m0/s1
InChIKeyZZGMDDXYOHHJMT-DTWKUNHWSA-N
XLogP1.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate (CID 18453419) is cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate is COC(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
The InChIKey is ZZGMDDXYOHHJMT-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-9-6-5-8(7-9)10(14)16-4/h8-9H,5-7H2,1-4H3,(H,13,15)/t8-,9+/m0/s1.
What are the key properties of cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate?
cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate is sourced from PubChem (CID 18453419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).