cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

C15H19NO4 — CID 66545226

IUPACcis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-19-14(17)12-7-8-13(9-12)16-15(18)20-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyVDOLNJIOWMVCGN-QWHCGFSZSA-N
MW277.32 g/mol
LogP2.25
Rot. Bonds4

About cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate

cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (PubChem CID 66545226) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
PubChem CID66545226
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Namecis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H19NO4/c1-19-14(17)12-7-8-13(9-12)16-15(18)20-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)/t12-,13+/m0/s1
InChIKeyVDOLNJIOWMVCGN-QWHCGFSZSA-N
XLogP2.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.25
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-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The IUPAC name of cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate (CID 66545226) is cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is COC(=O)[C@H]1CC[C@@H](NC(=O)OCc2ccccc2)C1.
What is the InChIKey of cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
The InChIKey is VDOLNJIOWMVCGN-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO4/c1-19-14(17)12-7-8-13(9-12)16-15(18)20-10-11-5-3-2-4-6-11/h2-6,12-13H,7-10H2,1H3,(H,16,18)/t12-,13+/m0/s1.
What are the key properties of cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate?
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.25, 4 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-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate is sourced from PubChem (CID 66545226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).