2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid

C14H25NO3 — CID 65067814

IUPAC2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid
SMILESCCCC1CC(N2CCCC2CC(=O)O)CCO1
InChIInChI=1S/C14H25NO3/c1-2-4-13-9-12(6-8-18-13)15-7-3-5-11(15)10-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyYBDDIFIEAGWANW-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.27
Rot. Bonds5

About 2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid

2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid (PubChem CID 65067814) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid
PubChem CID65067814
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid
SMILESCCCC1CC(N2CCCC2CC(=O)O)CCO1
InChIInChI=1S/C14H25NO3/c1-2-4-13-9-12(6-8-18-13)15-7-3-5-11(15)10-14(16)17/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyYBDDIFIEAGWANW-UHFFFAOYSA-N
XLogP2.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(oxolan-3-yl)pyrrolidin-2-yl]acetic acid
CID 63563210
2-[1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-yl]acetic acid
CID 65067859
2-[1-(4,4-dimethylcyclohexyl)piperidin-2-yl]acetic acid
CID 65063549
2-[1-(thian-4-yl)pyrrolidin-2-yl]acetic acid
CID 65068053
2-(1-spiro[4.5]decan-8-ylpiperidin-2-yl)acetic acid
CID 114820697
(2S,4S)-2-propyloxane-4-carboxylic acid
CID 928523
(2S,4R)-2-propyloxane-4-carboxylic acid
CID 7076362
2-[carboxymethyl-(2-propyloxan-4-yl)amino]acetic acid
CID 65065500
1-[1-(oxan-4-yl)azepan-2-yl]propan-2-one
CID 79560706
2-[cyclopentyl-(2-propyloxan-4-yl)amino]acetic acid
CID 65058458
N-[(1-methylpyrrolidin-2-yl)methyl]-2-propyloxan-4-amine
CID 103991074
3-[1-(5-oxaspiro[3.5]nonan-8-yl)piperidin-2-yl]propanoic acid
CID 79894201

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid (CID 65067814) is 2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid is CCCC1CC(N2CCCC2CC(=O)O)CCO1.
What is the InChIKey of 2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid?
The InChIKey is YBDDIFIEAGWANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-2-4-13-9-12(6-8-18-13)15-7-3-5-11(15)10-14(16)17/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid has a molecular weight of 255.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propyloxan-4-yl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 65067814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).