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

C16H27NO4 — CID 61432230

IUPAC2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(CC1CCCCO1)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H27NO4/c1-17(12-13-6-2-5-9-21-13)14(18)10-16(11-15(19)20)7-3-4-8-16/h13H,2-12H2,1H3,(H,19,20)
InChIKeyQLSFICKBUQSCFT-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.44
Rot. Bonds6

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

2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 61432230) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID61432230
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCN(CC1CCCCO1)C(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C16H27NO4/c1-17(12-13-6-2-5-9-21-13)14(18)10-16(11-15(19)20)7-3-4-8-16/h13H,2-12H2,1H3,(H,19,20)
InChIKeyQLSFICKBUQSCFT-UHFFFAOYSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclohexyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 111537176
2-[1-[2-[cyclohexylmethyl(methyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071131
2-[1-[[[methyl(oxolan-2-ylmethyl)carbamoyl]amino]methyl]cyclobutyl]acetic acid
CID 81163231
2-[carboxymethyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 63645794
6-[methyl(oxolan-2-ylmethyl)amino]-6-oxohexanoic acid
CID 61432529
N-methyl-N-(oxan-2-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 61436363
N-methyl-4-(methylamino)-N-(oxan-2-ylmethyl)butanamide
CID 61436258
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
N,4-dimethyl-N-(oxan-2-ylmethyl)piperidine-4-carboxamide
CID 55178326
2-[cyclopentyl-[methyl(oxan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435932
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid (CID 61432230) is 2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is CN(CC1CCCCO1)C(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is QLSFICKBUQSCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-17(12-13-6-2-5-9-21-13)14(18)10-16(11-15(19)20)7-3-4-8-16/h13H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 297.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[methyl(oxan-2-ylmethyl)amino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61432230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).