2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid

C13H21NO5 — CID 120521391

IUPAC2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCC1CCC(C(=O)NC2(CC(=O)O)CCOCC2)O1
InChIInChI=1S/C13H21NO5/c1-9-2-3-10(19-9)12(17)14-13(8-11(15)16)4-6-18-7-5-13/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyCNCVITRKWSCBBG-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.69
Rot. Bonds4

About 2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid

2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid (PubChem CID 120521391) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid
PubChem CID120521391
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid
SMILESCC1CCC(C(=O)NC2(CC(=O)O)CCOCC2)O1
InChIInChI=1S/C13H21NO5/c1-9-2-3-10(19-9)12(17)14-13(8-11(15)16)4-6-18-7-5-13/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyCNCVITRKWSCBBG-UHFFFAOYSA-N
XLogP0.69
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-methyloxolane-2-carbonyl)amino]oxane-4-carboxylic acid
CID 113280119
2-[4-[(4-propan-2-ylcyclohexanecarbonyl)amino]oxan-4-yl]acetic acid
CID 120521419
N-[1-(chloromethyl)-4-methylcyclohexyl]-5-methyloxolane-2-carboxamide
CID 114304382
N-[1-(aminomethyl)cyclohexyl]-5-methyloxolane-2-carboxamide
CID 81327458
methyl 2-[4-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]oxan-4-yl]acetate
CID 120793572
2-[4-(3-cyclohexylbutanoylamino)oxan-4-yl]acetic acid
CID 119214680
N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyloxolane-2-carboxamide
CID 103849502
(2R,5S)-5-[(4-methyloxan-4-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945713
(2R)-N-[4-(hydroxymethyl)oxan-4-yl]oxolane-2-carboxamide
CID 104630614
2-[1-[(2-methyloxolane-3-carbonyl)amino]cyclopentyl]acetic acid
CID 79760323
2-[4-(3-methylhexanoylamino)oxan-4-yl]acetic acid
CID 119215184
2-[4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]oxan-4-yl]acetic acid
CID 119215271

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid?
The IUPAC name of 2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid (CID 120521391) is 2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid?
The canonical SMILES for 2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid is CC1CCC(C(=O)NC2(CC(=O)O)CCOCC2)O1.
What is the InChIKey of 2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid?
The InChIKey is CNCVITRKWSCBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-9-2-3-10(19-9)12(17)14-13(8-11(15)16)4-6-18-7-5-13/h9-10H,2-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid?
2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid has a molecular weight of 271.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyloxolane-2-carbonyl)amino]oxan-4-yl]acetic acid is sourced from PubChem (CID 120521391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).