2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid

C12H21NO4 — CID 79750914

IUPAC2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C1CCOC1C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-4-5-10(12(15)16)13-11(14)9-6-7-17-8(9)2/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGDSDCBNBHDRGEY-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.17
Rot. Bonds6

About 2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid

2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid (PubChem CID 79750914) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid
PubChem CID79750914
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid
SMILESCCCCC(NC(=O)C1CCOC1C)C(=O)O
InChIInChI=1S/C12H21NO4/c1-3-4-5-10(12(15)16)13-11(14)9-6-7-17-8(9)2/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGDSDCBNBHDRGEY-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

(2S)-2-[(2-methyloxolane-3-carbonyl)amino]-3-phenylpropanoic acid
CID 79750162
(2S)-3-(4-hydroxyphenyl)-2-[(2-methyloxolane-3-carbonyl)amino]propanoic acid
CID 79754853
2-(oxolane-3-carbonylamino)hexanoic acid
CID 61271265
2-[[(2-methyloxolane-3-carbonyl)amino]methyl]pentanoic acid
CID 79758556
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
(2S)-2-[(2-ethoxycyclopropanecarbonyl)amino]hexanoic acid
CID 120614297
2-[[2-(trifluoromethyl)cyclohexanecarbonyl]amino]hexanoic acid
CID 104544073
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
2-(piperidine-4-carbonylamino)hexanoic acid
CID 61160247
2-[(2-ethyloxolane-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 114105119
2-(dicyclopropylmethylcarbamoylamino)hexanoic acid
CID 61480513
(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid
CID 107144689

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid (CID 79750914) is 2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid is CCCCC(NC(=O)C1CCOC1C)C(=O)O.
What is the InChIKey of 2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid?
The InChIKey is GDSDCBNBHDRGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-3-4-5-10(12(15)16)13-11(14)9-6-7-17-8(9)2/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid?
2-[(2-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 2-[(2-methyloxolane-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 79750914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).