(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid

C14H26N2O4 — CID 102944797

IUPAC(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C)CC(CN(C)C)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H26N2O4/c1-9(2)7-10(8-16(3)4)15-13(17)11-5-6-12(20-11)14(18)19/h9-12H,5-8H2,1-4H3,(H,15,17)(H,18,19)/t10?,11-,12+/m0/s1
InChIKeyRGYMKBQANTZETK-GLXQMMQGSA-N
MW286.37 g/mol
LogP0.71
Rot. Bonds7

About (2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944797) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is (2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944797
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C)CC(CN(C)C)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C14H26N2O4/c1-9(2)7-10(8-16(3)4)15-13(17)11-5-6-12(20-11)14(18)19/h9-12H,5-8H2,1-4H3,(H,15,17)(H,18,19)/t10?,11-,12+/m0/s1
InChIKeyRGYMKBQANTZETK-GLXQMMQGSA-N
XLogP0.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159057
N-[(2S)-1-(dimethylamino)-4-methylpentan-2-yl]cyclobutanecarboxamide
CID 95159056
(2R,5S)-5-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944794
(2R,5S)-5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944697
N-[1-(dimethylamino)-4-methylpentan-2-yl]morpholine-2-carboxamide;dihydrochloride
CID 119855874
5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688559
1-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032091
(2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102945718
(3S,4S)-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4-methylpyrrolidine-3-carboxamide
CID 114084712
1-cyclopropyl-3-[1-(dimethylamino)-4-methylpentan-2-yl]urea
CID 55769941
(2R,5S)-5-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102945643
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688026

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid (CID 102944797) is (2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid is CC(C)CC(CN(C)C)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is RGYMKBQANTZETK-GLXQMMQGSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(2)7-10(8-16(3)4)15-13(17)11-5-6-12(20-11)14(18)19/h9-12H,5-8H2,1-4H3,(H,15,17)(H,18,19)/t10?,11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).