3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

C12H24N2O4 — CID 81057768

IUPAC3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
SMILESCC(C)OCCN(C)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-9(2)18-7-6-14(5)11(17)13-12(3,4)8-10(15)16/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyTWPTVSFNXUFXEA-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.31
Rot. Bonds7

About 3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid (PubChem CID 81057768) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
PubChem CID81057768
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
SMILESCC(C)OCCN(C)C(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C12H24N2O4/c1-9(2)18-7-6-14(5)11(17)13-12(3,4)8-10(15)16/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeyTWPTVSFNXUFXEA-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 107474565
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
5-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]hexanoic acid
CID 82848023
2-[1-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 81057853
3-methyl-3-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79594198
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 81057369
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 107840583
4-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]benzoic acid
CID 81038080

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of 3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid (CID 81057768) is 3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for 3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for 3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid is CC(C)OCCN(C)C(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The InChIKey is TWPTVSFNXUFXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-9(2)18-7-6-14(5)11(17)13-12(3,4)8-10(15)16/h9H,6-8H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 81057768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).