2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C13H25N3O3 — CID 82764534

IUPAC2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCN(C)CCNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-16(3)9-8-14-12(19)15-10-6-5-7-13(10,2)11(17)18/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeySUNNCDGNGSJQMV-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.88
Rot. Bonds6

About 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid

2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82764534) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82764534
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCN(C)CCNC(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C13H25N3O3/c1-4-16(3)9-8-14-12(19)15-10-6-5-7-13(10,2)11(17)18/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeySUNNCDGNGSJQMV-UHFFFAOYSA-N
XLogP0.88
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82764534) is 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CCN(C)CCNC(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is SUNNCDGNGSJQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-16(3)9-8-14-12(19)15-10-6-5-7-13(10,2)11(17)18/h10H,4-9H2,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82764534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).