ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate

C14H25NO4 — CID 119022713

IUPACethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C14H25NO4/c1-5-18-11(16)14(8-6-7-9-14)10-15-12(17)19-13(2,3)4/h5-10H2,1-4H3,(H,15,17)
InChIKeyHGPSJCOIPLACKJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds4

About ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate

ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate (PubChem CID 119022713) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
PubChem CID119022713
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nameethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1
InChIInChI=1S/C14H25NO4/c1-5-18-11(16)14(8-6-7-9-14)10-15-12(17)19-13(2,3)4/h5-10H2,1-4H3,(H,15,17)
InChIKeyHGPSJCOIPLACKJ-UHFFFAOYSA-N
XLogP2.63
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexanecarbonyl]amino]methyl]cyclohexanecarbonyl]amino]methyl]cyclohexane-1-carboxylate
CID 100953803
methyl 1-[[[1-[[[1-[[[1-[[[1-[[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 100993658
4-methyl-2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentanecarbonyl]oxypentanoic acid
CID 70146696
tert-butyl N-[(1-pentanoylcyclopropyl)methyl]carbamate
CID 165470929
3-ethyl-1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylic acid
CID 165470377
1-[(ethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115435935
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
tert-butyl N-[(1-formylcyclobutyl)methyl]carbamate
CID 119032070
ethyl 1-[[(3-ethoxy-3-oxopropanoyl)amino]methyl]cyclopropane-1-carboxylate
CID 69183026
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392
tert-butyl N-[(3-ethylpiperidin-3-yl)methyl]carbamate
CID 84801669
tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate
CID 107251928

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate (CID 119022713) is ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate is CCOC(=O)C1(CNC(=O)OC(C)(C)C)CCCC1.
What is the InChIKey of ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate?
The InChIKey is HGPSJCOIPLACKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-5-18-11(16)14(8-6-7-9-14)10-15-12(17)19-13(2,3)4/h5-10H2,1-4H3,(H,15,17).
What are the key properties of ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate?
ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 119022713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).