1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid

C13H25N3O4 — CID 62849750

IUPAC1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOCCN(C)CCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H25N3O4/c1-16(9-10-20-2)8-7-14-12(19)15-13(11(17)18)5-3-4-6-13/h3-10H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyYJWVGMHFVIVDGT-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.26
Rot. Bonds8

About 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid

1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 62849750) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID62849750
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Name1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESCOCCN(C)CCNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H25N3O4/c1-16(9-10-20-2)8-7-14-12(19)15-13(11(17)18)5-3-4-6-13/h3-10H2,1-2H3,(H,17,18)(H2,14,15,19)
InChIKeyYJWVGMHFVIVDGT-UHFFFAOYSA-N
XLogP0.26
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[ethyl(methyl)amino]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 62635853
1-(5-methoxypentylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 114131676
1-(2-aminoethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61402688
1-[(3-methoxy-3-oxopropyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61299743
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
CID 55126918
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
1-[3-(diethylamino)propylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61191866
1-[[cyclopropyl(2-methoxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 61452408
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide
CID 62848521
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
CID 62850101
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 62849750) is 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid is COCCN(C)CCNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is YJWVGMHFVIVDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-16(9-10-20-2)8-7-14-12(19)15-13(11(17)18)5-3-4-6-13/h3-10H2,1-2H3,(H,17,18)(H2,14,15,19).
What are the key properties of 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 0.26, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62849750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).