1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C11H18N2O4 — CID 43529142

IUPAC1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(N)=O)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C11H18N2O4/c1-13(7-8(12)14)9(15)6-11(10(16)17)4-2-3-5-11/h2-7H2,1H3,(H2,12,14)(H,16,17)
InChIKeyVJFWPAAQPMTNNL-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.03
Rot. Bonds5

About 1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43529142) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43529142
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(N)=O)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C11H18N2O4/c1-13(7-8(12)14)9(15)6-11(10(16)17)4-2-3-5-11/h2-7H2,1H3,(H2,12,14)(H,16,17)
InChIKeyVJFWPAAQPMTNNL-UHFFFAOYSA-N
XLogP-0.03
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437249
1-[2-[3-hydroxybutyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 113499545
1-[2-[3-hydroxypropyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 114230125
1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437254
1-[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437234
1-[2-[5-hydroxypentyl(methyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 107198577
1-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 63880287
1-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63207757
1-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43385413
1-[2-[methyl-(2-methylcyclohexyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60953891
1-[2-[(3-hydroxyphenyl)methyl-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60951395
1-[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60952628

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43529142) is 1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CN(CC(N)=O)C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is VJFWPAAQPMTNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-13(7-8(12)14)9(15)6-11(10(16)17)4-2-3-5-11/h2-7H2,1H3,(H2,12,14)(H,16,17).
What are the key properties of 1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 242.27 g/mol, XLogP of -0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-amino-2-oxoethyl)-methylamino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43529142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).