5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid

C12H21NO4 — CID 114824579

IUPAC5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1COC(C)C1
InChIInChI=1S/C12H21NO4/c1-8(4-3-5-11(14)15)13-12(16)10-6-9(2)17-7-10/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBIRDXYDHTWHOJE-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds6

About 5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid

5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid (PubChem CID 114824579) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
PubChem CID114824579
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)C1COC(C)C1
InChIInChI=1S/C12H21NO4/c1-8(4-3-5-11(14)15)13-12(16)10-6-9(2)17-7-10/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyBIRDXYDHTWHOJE-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide
CID 114827184
5-(cyclopentanecarbonylamino)hexanoic acid
CID 82854691
5-[(2-methylpiperidine-4-carbonyl)amino]hexanoic acid
CID 106740524
N-(1-hydroxy-4-methylpentan-3-yl)-5-methyloxolane-3-carboxamide
CID 102677253
(2S)-2-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 104979103
5-(piperidine-4-carbonylamino)hexanoic acid
CID 82844939
N-(4-chloro-3-methylbutan-2-yl)-5-methyloxolane-3-carboxamide
CID 114823383
2-methyl-5-[(5-methyloxolane-3-carbonyl)amino]pentanoic acid
CID 114824595
2-methyl-4-[(5-methyloxolane-3-carbonyl)amino]butanoic acid
CID 114824533
4,4-dimethyl-6-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid
CID 114824492
N-(4-chloropentyl)-5-methyloxolane-3-carboxamide
CID 106129813
5-[(5-oxopyrrolidine-3-carbonyl)amino]hexanoic acid
CID 83193053

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid (CID 114824579) is 5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)C1COC(C)C1.
What is the InChIKey of 5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid?
The InChIKey is BIRDXYDHTWHOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(4-3-5-11(14)15)13-12(16)10-6-9(2)17-7-10/h8-10H,3-7H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid?
5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyloxolane-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 114824579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).