ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate

C12H22N2O3 — CID 119789233

IUPACethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC(=O)C1CCC(N)C1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)8(2)7-14-11(15)9-4-5-10(13)6-9/h8-10H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyJCAUBYAYLVVHBL-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.43
Rot. Bonds5

About ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate

ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate (PubChem CID 119789233) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
PubChem CID119789233
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CNC(=O)C1CCC(N)C1
InChIInChI=1S/C12H22N2O3/c1-3-17-12(16)8(2)7-14-11(15)9-4-5-10(13)6-9/h8-10H,3-7,13H2,1-2H3,(H,14,15)
InChIKeyJCAUBYAYLVVHBL-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxy-3-methylpentyl)cyclopentane-1-carboxamide
CID 119784024
ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633653
3-amino-N-(2-methoxypropyl)cyclopentane-1-carboxamide
CID 102695070
ethyl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119326846
3-amino-N-[2-(2-hydroxyethyl)-4-methylpentyl]cyclopentane-1-carboxamide
CID 119817751
3-amino-N-(2-ethoxy-2-methylpropyl)cyclopentane-1-carboxamide
CID 114942255
3-amino-N-(2-hydroxy-3-methylpentyl)cyclohexane-1-carboxamide;hydrochloride
CID 119784027
3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119744739
3-amino-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 66032086
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119734111
3-amino-N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentane-1-carboxamide
CID 119869000
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 113267515

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate (CID 119789233) is ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate is CCOC(=O)C(C)CNC(=O)C1CCC(N)C1.
What is the InChIKey of ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate?
The InChIKey is JCAUBYAYLVVHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-17-12(16)8(2)7-14-11(15)9-4-5-10(13)6-9/h8-10H,3-7,13H2,1-2H3,(H,14,15).
What are the key properties of ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate?
ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate has a molecular weight of 242.32 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 119789233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).