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

C9H15NO4 — CID 114987731

IUPAC1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CNC1(C(=O)O)CCCC1
InChIInChI=1S/C9H15NO4/c1-14-7(11)6-10-9(8(12)13)4-2-3-5-9/h10H,2-6H2,1H3,(H,12,13)
InChIKeyMHRCCVAEUYQJNQ-UHFFFAOYSA-N
MW201.22 g/mol
LogP0.15
Rot. Bonds4

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

1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 114987731) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
PubChem CID114987731
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
SMILESCOC(=O)CNC1(C(=O)O)CCCC1
InChIInChI=1S/C9H15NO4/c1-14-7(11)6-10-9(8(12)13)4-2-3-5-9/h10H,2-6H2,1H3,(H,12,13)
InChIKeyMHRCCVAEUYQJNQ-UHFFFAOYSA-N
XLogP0.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxy-2-oxoethyl)amino]thiane-3-carboxylic acid
CID 114997889
1-[(2-methoxy-2-oxoethyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 114990677
1-[(2-amino-2-oxoethyl)amino]cyclopentane-1-carboxylic acid
CID 82238244
1-[[2-(methylamino)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 82238273
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
1-[(2-amino-2-oxoethyl)amino]cyclobutane-1-carboxylic acid
CID 81167542
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-[(2-methoxy-2-oxoethyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 61358172
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
methyl 1-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexane-1-carboxylate
CID 22080602
methyl 2-[[1-[(E)-1-phenylprop-1-enyl]cyclopropyl]amino]acetate
CID 101129463
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid (CID 114987731) is 1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid is COC(=O)CNC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is MHRCCVAEUYQJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-14-7(11)6-10-9(8(12)13)4-2-3-5-9/h10H,2-6H2,1H3,(H,12,13).
What are the key properties of 1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid?
1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-2-oxoethyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114987731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).