(2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid

C12H21NO4 — CID 103926983

IUPAC(2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid
SMILESCC1CCOC1C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H21NO4/c1-7-5-6-17-8(7)10(14)13-9(11(15)16)12(2,3)4/h7-9H,5-6H2,1-4H3,(H,13,14)(H,15,16)/t7?,8?,9-/m0/s1
InChIKeyKNBKQYLUZWECLC-HACHORDNSA-N
MW243.30 g/mol
LogP1.03
Rot. Bonds3

About (2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid

(2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid (PubChem CID 103926983) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is (2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid
PubChem CID103926983
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name(2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid
SMILESCC1CCOC1C(=O)N[C@@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C12H21NO4/c1-7-5-6-17-8(7)10(14)13-9(11(15)16)12(2,3)4/h7-9H,5-6H2,1-4H3,(H,13,14)(H,15,16)/t7?,8?,9-/m0/s1
InChIKeyKNBKQYLUZWECLC-HACHORDNSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-2-(oxane-2-carbonylamino)butanoic acid
CID 55047706
4,4-dimethyl-2-[[(3-methyloxolane-2-carbonyl)amino]methyl]pentanoic acid
CID 107474033
(2R)-2-(bicyclo[4.1.0]heptane-7-carbonylamino)-3,3-dimethylbutanoic acid
CID 103926722
(2R,3S)-3-methyloxolane-2-carbohydrazide
CID 91654556
N-(2-amino-2-methylpropyl)-3-methyloxolane-2-carboxamide
CID 115303323
3,3-dimethyl-2-[(4-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 63714654
(2R)-3,3-dimethyl-2-(piperidine-4-carbonylamino)butanoic acid
CID 103927215
2-methyl-5-[(3-methyloxolane-2-carbonyl)amino]pentanoic acid
CID 104681943
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 106703269
N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 115734116
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3,3-dimethylbutanoic acid
CID 103927341
(2S,3R)-N-(2-chloroprop-2-enyl)-3-methyloxolane-2-carboxamide
CID 131019910

Frequently Asked Questions

What is the IUPAC name of (2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid?
The IUPAC name of (2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid (CID 103926983) is (2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for (2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid?
The canonical SMILES for (2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid is CC1CCOC1C(=O)N[C@@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid?
The InChIKey is KNBKQYLUZWECLC-HACHORDNSA-N. The full InChI is InChI=1S/C12H21NO4/c1-7-5-6-17-8(7)10(14)13-9(11(15)16)12(2,3)4/h7-9H,5-6H2,1-4H3,(H,13,14)(H,15,16)/t7?,8?,9-/m0/s1.
What are the key properties of (2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid?
(2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid has a molecular weight of 243.30 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3-dimethyl-2-[(3-methyloxolane-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103926983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).