2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid

C14H27N3O3 — CID 61186355

IUPAC2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
SMILESCCN(CC)CCNC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H27N3O3/c1-3-16(4-2)10-9-15-14(20)17(11-13(18)19)12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyTYDBTPQLSNVQCA-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.37
Rot. Bonds8

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

2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid (PubChem CID 61186355) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
PubChem CID61186355
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid
SMILESCCN(CC)CCNC(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C14H27N3O3/c1-3-16(4-2)10-9-15-14(20)17(11-13(18)19)12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyTYDBTPQLSNVQCA-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid (CID 61186355) is 2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid is CCN(CC)CCNC(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid?
The InChIKey is TYDBTPQLSNVQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-16(4-2)10-9-15-14(20)17(11-13(18)19)12-7-5-6-8-12/h12H,3-11H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid?
2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid has a molecular weight of 285.39 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(diethylamino)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 61186355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).