2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

C14H26N2O4 — CID 82951994

IUPAC2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOCCN(C(=O)NCC1CCCC1C(=O)O)C(C)C
InChIInChI=1S/C14H26N2O4/c1-10(2)16(7-8-20-3)14(19)15-9-11-5-4-6-12(11)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyAWIDETHSPKCOBN-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.55
Rot. Bonds7

About 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid

2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 82951994) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID82951994
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESCOCCN(C(=O)NCC1CCCC1C(=O)O)C(C)C
InChIInChI=1S/C14H26N2O4/c1-10(2)16(7-8-20-3)14(19)15-9-11-5-4-6-12(11)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyAWIDETHSPKCOBN-UHFFFAOYSA-N
XLogP1.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 82951994) is 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is COCCN(C(=O)NCC1CCCC1C(=O)O)C(C)C.
What is the InChIKey of 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is AWIDETHSPKCOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)16(7-8-20-3)14(19)15-9-11-5-4-6-12(11)13(17)18/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid?
2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82951994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).