ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate

C14H28N2O3 — CID 79655068

IUPACethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N(CC)C(C)COC)C1
InChIInChI=1S/C14H28N2O3/c1-5-16(11(3)10-18-4)12-7-8-14(15,9-12)13(17)19-6-2/h11-12H,5-10,15H2,1-4H3
InChIKeyVVEMEACLNSGLNB-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.16
Rot. Bonds7

About ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate

ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate (PubChem CID 79655068) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
PubChem CID79655068
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N(CC)C(C)COC)C1
InChIInChI=1S/C14H28N2O3/c1-5-16(11(3)10-18-4)12-7-8-14(15,9-12)13(17)19-6-2/h11-12H,5-10,15H2,1-4H3
InChIKeyVVEMEACLNSGLNB-UHFFFAOYSA-N
XLogP1.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655725
methyl 1-(cyclopropylamino)-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79646396
ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate
CID 79655748
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
CID 79649290
3-[ethyl(1-methoxypropan-2-yl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79626494
methyl 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79655290
1-amino-3-[butan-2-yl(ethyl)amino]cyclohexane-1-carboxamide
CID 79635988
ethyl 1-amino-3-cyanocyclopentane-1-carboxylate
CID 163217382
methyl 1-amino-3-[2-methoxyethyl(pentan-3-yl)amino]cyclohexane-1-carboxylate
CID 79628021
1-(ethylamino)-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxamide
CID 79647416
ethyl 1-amino-3-butoxycyclopentane-1-carboxylate
CID 79648394

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate (CID 79655068) is ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(N(CC)C(C)COC)C1.
What is the InChIKey of ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate?
The InChIKey is VVEMEACLNSGLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-5-16(11(3)10-18-4)12-7-8-14(15,9-12)13(17)19-6-2/h11-12H,5-10,15H2,1-4H3.
What are the key properties of ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate?
ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate has a molecular weight of 272.39 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79655068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).