methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate

C12H22N2O3 — CID 119789350

IUPACmethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)C1CCC(N)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,11(16)17-3)7-14-10(15)8-4-5-9(13)6-8/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyPUCMIZZDZNKUJZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.43
Rot. Bonds4

About methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate

methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate (PubChem CID 119789350) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate
PubChem CID119789350
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)C1CCC(N)C1
InChIInChI=1S/C12H22N2O3/c1-12(2,11(16)17-3)7-14-10(15)8-4-5-9(13)6-8/h8-9H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyPUCMIZZDZNKUJZ-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

Methyl 3-[3-(cyclopentanecarbonylamino)butanoylamino]butanoate
CID 56823981
Methyl 3-[(3-aminocyclopentanecarbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 66009389
Ethyl 3-(cyclopentanecarbonylamino)propanoate
CID 58089891
methyl 3-((1S,3R)-3-amino-2,2-dimethylcyclobutanecarboxamido)propanoate
CID 58111008
trans-(1R,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 58615956
cis-(1S,3R)-3-(6-aminohexanoylamino)-N-(2-methylpropyl)cyclopentane-1-carboxamide
CID 58615977
tert-butyl {(1S,3S)-3-[(methylamino)carbonyl]cyclopentyl}carbamate
CID 59028675
cis-3-(Boc-amino)cyclopentanecarboxamide
CID 59028693
tert-butyl {(1S,3R)-3-[(methylamino)carbonyl]cyclopentyl}carbamate
CID 59028729
tert-butyl [(1S,3S)-3-(aminocarbonyl)cyclopentyl]carbamate
CID 59028731
Methyl 3-(cyclopentanecarbonylamino)-4-methylpentanoate
CID 59294586
tert-Butyl ((1R,3S)-3-carbamoylcyclopentyl)carbamate
CID 59892186

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate (CID 119789350) is methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNC(=O)C1CCC(N)C1.
What is the InChIKey of methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate?
The InChIKey is PUCMIZZDZNKUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,11(16)17-3)7-14-10(15)8-4-5-9(13)6-8/h8-9H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate?
methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate has a molecular weight of 242.32 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-aminocyclopentanecarbonyl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 119789350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).