2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid

C12H22N2O4 — CID 62821818

IUPAC2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid
SMILESCN(C(=O)N(C)C(C)(C)C(=O)O)C1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-12(2,10(15)16)14(4)11(17)13(3)9-5-7-18-8-6-9/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyCVTFSVSOCQDLHZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.01
Rot. Bonds3

About 2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid

2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid (PubChem CID 62821818) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid
PubChem CID62821818
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid
SMILESCN(C(=O)N(C)C(C)(C)C(=O)O)C1CCOCC1
InChIInChI=1S/C12H22N2O4/c1-12(2,10(15)16)14(4)11(17)13(3)9-5-7-18-8-6-9/h9H,5-8H2,1-4H3,(H,15,16)
InChIKeyCVTFSVSOCQDLHZ-UHFFFAOYSA-N
XLogP1.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N,2-dimethyl-N-(oxan-4-yl)propanamide
CID 130165390
2-methyl-2-[methyl(oxan-4-ylmethylcarbamoyl)amino]propanoic acid
CID 63707969
2-[ethyl-[methyl-(4-methylcyclohexyl)carbamoyl]amino]-2-methylpropanoic acid
CID 62821662
2-amino-2-cyclopropyl-N-methyl-N-(oxan-4-yl)propanamide
CID 60867705
2-[[methyl(oxan-4-yl)carbamoyl]-propylamino]acetic acid
CID 61203323
1-cyano-N-methyl-N-(oxan-4-yl)formamide
CID 115172100
2-methyl-2-[[methyl(oxan-4-yl)amino]methyl]butanoic acid
CID 62271389
2-[cyclopropanecarbonyl(methyl)amino]-2-methylpropanoic acid
CID 62817910
2-methyl-2-[[methyl(oxolan-3-yl)carbamoyl]amino]propanoic acid
CID 82742753
2-amino-2-ethyl-N-methyl-N-(oxan-4-yl)butanamide
CID 79810217
2-[[methyl(oxan-4-yl)carbamoyl]amino]acetic acid
CID 43611566
(2R)-N-methyl-N-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 93224848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid (CID 62821818) is 2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid is CN(C(=O)N(C)C(C)(C)C(=O)O)C1CCOCC1.
What is the InChIKey of 2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
The InChIKey is CVTFSVSOCQDLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-12(2,10(15)16)14(4)11(17)13(3)9-5-7-18-8-6-9/h9H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid?
2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[methyl(oxan-4-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 62821818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).