2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid

C12H23N3O3 — CID 55204506

IUPAC2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C12H23N3O3/c1-14(10-5-3-4-6-10)8-7-13-12(18)15(2)9-11(16)17/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyIRHVRWPVHRNLBP-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.59
Rot. Bonds6

About 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid

2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid (PubChem CID 55204506) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid
PubChem CID55204506
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)NCCN(C)C1CCCC1
InChIInChI=1S/C12H23N3O3/c1-14(10-5-3-4-6-10)8-7-13-12(18)15(2)9-11(16)17/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyIRHVRWPVHRNLBP-UHFFFAOYSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid?
The IUPAC name of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid (CID 55204506) is 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid is CN(CC(=O)O)C(=O)NCCN(C)C1CCCC1.
What is the InChIKey of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid?
The InChIKey is IRHVRWPVHRNLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-14(10-5-3-4-6-10)8-7-13-12(18)15(2)9-11(16)17/h10H,3-9H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid?
2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopentyl(methyl)amino]ethylcarbamoyl-methylamino]acetic acid is sourced from PubChem (CID 55204506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).