tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate

C20H29NO4 — CID 67428133

IUPACtert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate
SMILESCC(C)(C)OC(=O)CCC1(NC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C20H29NO4/c1-19(2,3)25-17(22)11-14-20(12-7-8-13-20)21-18(23)24-15-16-9-5-4-6-10-16/h4-6,9-10H,7-8,11-15H2,1-3H3,(H,21,23)
InChIKeyJLMDTCDCWSOOGD-UHFFFAOYSA-N
MW347.45 g/mol
LogP4.35
Rot. Bonds6

About tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate

tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate (PubChem CID 67428133) has the molecular formula C20H29NO4 and a molecular weight of 347.45 g/mol. Its IUPAC name is tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate
PubChem CID67428133
Molecular FormulaC20H29NO4
Molecular Weight347.45 g/mol
Exact Mass347.21
IUPAC Nametert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate
SMILESCC(C)(C)OC(=O)CCC1(NC(=O)OCc2ccccc2)CCCC1
InChIInChI=1S/C20H29NO4/c1-19(2,3)25-17(22)11-14-20(12-7-8-13-20)21-18(23)24-15-16-9-5-4-6-10-16/h4-6,9-10H,7-8,11-15H2,1-3H3,(H,21,23)
InChIKeyJLMDTCDCWSOOGD-UHFFFAOYSA-N
XLogP4.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(3-oxobutyl)cyclopentyl]carbamate
CID 59454089
benzyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[2.2.2]octanyl]carbamate
CID 135397622
tert-butyl N-[1-(2-phenylmethoxyethyl)cyclopropyl]carbamate
CID 118177257
benzyl N-[1-(propoxymethyl)cyclopentyl]carbamate
CID 11580159
tert-butyl 5-(phenylmethoxycarbonylamino)pentanoate
CID 10638439
benzyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58560493
tert-butyl 2-(2-phenylmethoxycarbonylhydrazinyl)acetate
CID 14182511
tert-butyl 3-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]propanoate
CID 138606235
tert-butyl (3S)-3-(methoxymethyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 175984767
tert-butyl N-[1-(phenylmethoxymethyl)cyclopropyl]carbamate
CID 10934734
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate
CID 23434416

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate?
The IUPAC name of tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate (CID 67428133) is tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate.
What is the SMILES notation for tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate?
The canonical SMILES for tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate is CC(C)(C)OC(=O)CCC1(NC(=O)OCc2ccccc2)CCCC1.
What is the InChIKey of tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate?
The InChIKey is JLMDTCDCWSOOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO4/c1-19(2,3)25-17(22)11-14-20(12-7-8-13-20)21-18(23)24-15-16-9-5-4-6-10-16/h4-6,9-10H,7-8,11-15H2,1-3H3,(H,21,23).
What are the key properties of tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate?
tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate has a molecular weight of 347.45 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(phenylmethoxycarbonylamino)cyclopentyl]propanoate is sourced from PubChem (CID 67428133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).