2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid

C11H19NO4 — CID 104855932

IUPAC2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
SMILESCCC(C)(CNC(=O)[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-3-11(2,10(14)15)7-12-9(13)8-5-4-6-16-8/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8-,11?/m1/s1
InChIKeyMHKWEBCTDBHLIU-RZZZFEHKSA-N
MW229.28 g/mol
LogP0.78
Rot. Bonds5

About 2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid

2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid (PubChem CID 104855932) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
PubChem CID104855932
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
SMILESCCC(C)(CNC(=O)[C@H]1CCCO1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-3-11(2,10(14)15)7-12-9(13)8-5-4-6-16-8/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8-,11?/m1/s1
InChIKeyMHKWEBCTDBHLIU-RZZZFEHKSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]oxolane-2-carboxamide
CID 108573698
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704
N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
CID 66169153
N-(4-chloro-2,2-dimethylbutyl)oxane-2-carboxamide
CID 106142571
2-methyl-2-[[[(2R)-pyrrolidine-2-carbonyl]amino]methyl]butanoic acid
CID 104901372
(2S)-N-(2,2-diphenylpropyl)oxane-2-carboxamide
CID 99932597

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid?
The IUPAC name of 2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid (CID 104855932) is 2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid is CCC(C)(CNC(=O)[C@H]1CCCO1)C(=O)O.
What is the InChIKey of 2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid?
The InChIKey is MHKWEBCTDBHLIU-RZZZFEHKSA-N. The full InChI is InChI=1S/C11H19NO4/c1-3-11(2,10(14)15)7-12-9(13)8-5-4-6-16-8/h8H,3-7H2,1-2H3,(H,12,13)(H,14,15)/t8-,11?/m1/s1.
What are the key properties of 2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid?
2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid has a molecular weight of 229.28 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid is sourced from PubChem (CID 104855932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).