methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate

C11H20N2O3 — CID 64823158

IUPACmethyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CCCC1N
InChIInChI=1S/C11H20N2O3/c1-11(2,10(15)16-3)13-9(14)7-5-4-6-8(7)12/h7-8H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyWEQFITNKWQKSPP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.18
Rot. Bonds3

About methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate

methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate (PubChem CID 64823158) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
PubChem CID64823158
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)C1CCCC1N
InChIInChI=1S/C11H20N2O3/c1-11(2,10(15)16-3)13-9(14)7-5-4-6-8(7)12/h7-8H,4-6,12H2,1-3H3,(H,13,14)
InChIKeyWEQFITNKWQKSPP-UHFFFAOYSA-N
XLogP0.18
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-aminocyclohexanecarbonyl)amino]-2-methylpropanoate
CID 63043974
methyl 2-[(2-aminocyclopentanecarbonyl)amino]acetate
CID 64823371
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cyclohexane-1-carboxamide
CID 106188264
2-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)cycloheptane-1-carboxamide
CID 106188227
2-amino-N-(1-hydroxy-2-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 64852632
2-amino-N-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119692657
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-methylpropanoate
CID 79527399
2-amino-N-(2-methoxy-2-methylpropyl)cycloheptane-1-carboxamide
CID 113266935
cis-(1R,2S)-2-amino-N-propan-2-ylcyclopentane-1-carboxamide
CID 67437509
2-amino-N',N'-dimethylcyclopentane-1-carbohydrazide
CID 83021405
methyl 2-methyl-2-[[(2R)-piperidine-2-carbonyl]amino]propanoate
CID 93268446
methyl 2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2-methylpropanoate
CID 51873205

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate (CID 64823158) is methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)C1CCCC1N.
What is the InChIKey of methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate?
The InChIKey is WEQFITNKWQKSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,10(15)16-3)13-9(14)7-5-4-6-8(7)12/h7-8H,4-6,12H2,1-3H3,(H,13,14).
What are the key properties of methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate?
methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate has a molecular weight of 228.29 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-aminocyclopentanecarbonyl)amino]-2-methylpropanoate is sourced from PubChem (CID 64823158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).