2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid

C15H26N2O4 — CID 64699572

IUPAC2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCN(CC1CCOCC1)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H26N2O4/c1-17(11-12-4-8-21-9-5-12)14(20)16-15(10-13(18)19)6-2-3-7-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyLOGABEOPVOEFFW-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds5

About 2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid

2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid (PubChem CID 64699572) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid
PubChem CID64699572
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCN(CC1CCOCC1)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H26N2O4/c1-17(11-12-4-8-21-9-5-12)14(20)16-15(10-13(18)19)6-2-3-7-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyLOGABEOPVOEFFW-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid (CID 64699572) is 2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid is CN(CC1CCOCC1)C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The InChIKey is LOGABEOPVOEFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-17(11-12-4-8-21-9-5-12)14(20)16-15(10-13(18)19)6-2-3-7-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid?
2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64699572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).