2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid

C12H24N2O4 — CID 65221880

IUPAC2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid
SMILESCOCC(C)CNC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-8(2)10(11(15)16)6-14-12(17)13-5-9(3)7-18-4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyRAIZJEHKWMLRGK-UHFFFAOYSA-N
MW260.33 g/mol
LogP0.92
Rot. Bonds8

About 2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid

2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid (PubChem CID 65221880) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid
PubChem CID65221880
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid
SMILESCOCC(C)CNC(=O)NCC(C(=O)O)C(C)C
InChIInChI=1S/C12H24N2O4/c1-8(2)10(11(15)16)6-14-12(17)13-5-9(3)7-18-4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17)
InChIKeyRAIZJEHKWMLRGK-UHFFFAOYSA-N
XLogP0.92
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-(3-methoxy-2-methylpropyl)urea
CID 115593972
(2R)-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 78979081
2-[(2,2-dimethylpropylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65223478
3-[(3-methoxy-2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114898277
methyl N-(3-methoxy-2-methylpropyl)carbamate
CID 115593989
3-methyl-2-[[(2-methyl-3-pyrrolidin-1-ylpropyl)carbamoylamino]methyl]butanoic acid
CID 65226844
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
3-cyclopropyl-2-[(3-methoxy-2-methylpropyl)carbamoylamino]propanoic acid
CID 112735106
2-[(carbamoylamino)methyl]-3-methylbutanoic acid
CID 65218090
2-[(2-cyclohexyloxyethylcarbamoylamino)methyl]-3-methylbutanoic acid
CID 65226521
2-[(2,3-dimethylbutanoylamino)methyl]-3-methylbutanoic acid
CID 65219944
2-amino-3-methoxy-N-(3-methoxy-2-methylpropyl)propanamide
CID 81089502

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid?
The IUPAC name of 2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid (CID 65221880) is 2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid is COCC(C)CNC(=O)NCC(C(=O)O)C(C)C.
What is the InChIKey of 2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid?
The InChIKey is RAIZJEHKWMLRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-8(2)10(11(15)16)6-14-12(17)13-5-9(3)7-18-4/h8-10H,5-7H2,1-4H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid?
2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid has a molecular weight of 260.33 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxy-2-methylpropyl)carbamoylamino]methyl]-3-methylbutanoic acid is sourced from PubChem (CID 65221880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).