4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid

C12H19NO4 — CID 66223983

IUPAC4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid
SMILESO=C(CC1CCCC1)NC1COCC1C(=O)O
InChIInChI=1S/C12H19NO4/c14-11(5-8-3-1-2-4-8)13-10-7-17-6-9(10)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyDTVYIOKDNBHMKY-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.78
Rot. Bonds4

About 4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid

4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid (PubChem CID 66223983) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid
PubChem CID66223983
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid
SMILESO=C(CC1CCCC1)NC1COCC1C(=O)O
InChIInChI=1S/C12H19NO4/c14-11(5-8-3-1-2-4-8)13-10-7-17-6-9(10)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16)
InChIKeyDTVYIOKDNBHMKY-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-acetamidoacetyl)amino]oxolane-3-carboxylic acid
CID 66221855
4-[3-(oxolan-2-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222668
4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239762
2-cyclopentyl-N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]acetamide
CID 110125825
4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
CID 114873780
N-(2-aminocyclopropyl)-2-cyclopentylacetamide
CID 60775753
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
CID 107175660
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
2-cyclopentyl-1-[4-(ethylamino)oxolan-3-yl]ethanone
CID 116588094
4-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222068

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid (CID 66223983) is 4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid is O=C(CC1CCCC1)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid?
The InChIKey is DTVYIOKDNBHMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-11(5-8-3-1-2-4-8)13-10-7-17-6-9(10)12(15)16/h8-10H,1-7H2,(H,13,14)(H,15,16).
What are the key properties of 4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid?
4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopentylacetyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66223983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).