2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

C16H27NO4 — CID 61072046

IUPAC2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN(CC1CCOC1)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H27NO4/c1-2-17(11-13-5-8-21-12-13)14(18)9-16(10-15(19)20)6-3-4-7-16/h13H,2-12H2,1H3,(H,19,20)
InChIKeySABFZCPZDXBAQK-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.30
Rot. Bonds7

About 2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61072046) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61072046
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCCN(CC1CCOC1)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H27NO4/c1-2-17(11-13-5-8-21-12-13)14(18)9-16(10-15(19)20)6-3-4-7-16/h13H,2-12H2,1H3,(H,19,20)
InChIKeySABFZCPZDXBAQK-UHFFFAOYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61072046) is 2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CCN(CC1CCOC1)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is SABFZCPZDXBAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-17(11-13-5-8-21-12-13)14(18)9-16(10-15(19)20)6-3-4-7-16/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61072046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).