methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate

C13H23NO3 — CID 112617453

IUPACmethyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCC1(CC(C)C)CCCC1
InChIInChI=1S/C13H23NO3/c1-10(2)8-13(6-4-5-7-13)9-14-11(15)12(16)17-3/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyWRSHDPYSJFBNRQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate

methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate (PubChem CID 112617453) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
PubChem CID112617453
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate
SMILESCOC(=O)C(=O)NCC1(CC(C)C)CCCC1
InChIInChI=1S/C13H23NO3/c1-10(2)8-13(6-4-5-7-13)9-14-11(15)12(16)17-3/h10H,4-9H2,1-3H3,(H,14,15)
InChIKeyWRSHDPYSJFBNRQ-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]cyclopropane-1-carboxamide
CID 119788836
2-(methylamino)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 119788858
2-bromo-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propanamide
CID 114328916
1-[[1-(2-methylpropyl)cyclopentyl]methyl]-3-propylurea
CID 116656790
methyl 2-amino-3-[[1-(2-methylpropyl)cyclopentyl]methylamino]propanoate
CID 114281374
4-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]oxane-4-carboxamide
CID 115295165
1-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopentane-1-carboxamide
CID 119345128
3-methoxy-2-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]propanoic acid
CID 81085411
3-amino-N-[[1-(2-methylpropyl)cyclobutyl]methyl]propanamide
CID 119326669
2-methyl-4-[[1-(2-methylpropyl)cyclopentyl]methylcarbamoylamino]butanoic acid
CID 80541329
5-amino-2-methyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pentanamide
CID 104685343
1-amino-N-[[1-(2-methylpropyl)cyclopropyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119821357

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate?
The IUPAC name of methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate (CID 112617453) is methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate?
The canonical SMILES for methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate is COC(=O)C(=O)NCC1(CC(C)C)CCCC1.
What is the InChIKey of methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate?
The InChIKey is WRSHDPYSJFBNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10(2)8-13(6-4-5-7-13)9-14-11(15)12(16)17-3/h10H,4-9H2,1-3H3,(H,14,15).
What are the key properties of methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate?
methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate has a molecular weight of 241.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(2-methylpropyl)cyclopentyl]methylamino]-2-oxoacetate is sourced from PubChem (CID 112617453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).