ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate

C16H30N2O2 — CID 79655748

IUPACethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N(CCC(C)C)C2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-4-20-15(19)16(17)9-7-14(11-16)18(13-5-6-13)10-8-12(2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyMLNGVAJLWCYCPS-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.31
Rot. Bonds7

About ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate

ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate (PubChem CID 79655748) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate
PubChem CID79655748
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(N(CCC(C)C)C2CC2)C1
InChIInChI=1S/C16H30N2O2/c1-4-20-15(19)16(17)9-7-14(11-16)18(13-5-6-13)10-8-12(2)3/h12-14H,4-11,17H2,1-3H3
InChIKeyMLNGVAJLWCYCPS-UHFFFAOYSA-N
XLogP2.31
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655725
ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655068
ethyl 3-[cyclopropyl(2-methylpropyl)amino]-1-(ethylamino)cyclopentane-1-carboxylate
CID 79646666
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
methyl 1-amino-3-[2-methoxyethyl(2-methylpropyl)amino]cyclopentane-1-carboxylate
CID 79655290
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxamide
CID 107870991
1-amino-3-[bis(3-methylbutyl)amino]cyclohexane-1-carboxylic acid
CID 107871020
ethyl 1-amino-3-cyanocyclopentane-1-carboxylate
CID 163217382
1-amino-3-[ethyl(2-methylpropyl)amino]cyclopentane-1-carboxamide
CID 79649570
ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
CID 79649290
ethyl 1-amino-3-butoxycyclopentane-1-carboxylate
CID 79648394
methyl 1-amino-3-[methyl(propyl)amino]cyclopentane-1-carboxylate
CID 79650274

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate (CID 79655748) is ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(N(CCC(C)C)C2CC2)C1.
What is the InChIKey of ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate?
The InChIKey is MLNGVAJLWCYCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-20-15(19)16(17)9-7-14(11-16)18(13-5-6-13)10-8-12(2)3/h12-14H,4-11,17H2,1-3H3.
What are the key properties of ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate?
ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-[cyclopropyl(3-methylbutyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 79655748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).