3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid

C12H24N2O4 — CID 106109985

IUPAC3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(C)C(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-8(12(2,3)4)14(5)11(17)13-7-9(18-6)10(15)16/h8-9H,7H2,1-6H3,(H,13,17)(H,15,16)
InChIKeyNJMQCDXPLJCRTK-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.16
Rot. Bonds5

About 3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid

3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid (PubChem CID 106109985) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
PubChem CID106109985
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid
SMILESCOC(CNC(=O)N(C)C(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-8(12(2,3)4)14(5)11(17)13-7-9(18-6)10(15)16/h8-9H,7H2,1-6H3,(H,13,17)(H,15,16)
InChIKeyNJMQCDXPLJCRTK-UHFFFAOYSA-N
XLogP1.16
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 106109760
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid
CID 106108926
2-methoxy-3-[[methyl(prop-2-ynyl)carbamoyl]amino]propanoic acid
CID 106110394
2-methoxy-3-[[propan-2-yl(propyl)carbamoyl]amino]propanoic acid
CID 106109710
2-methoxy-3-[[methyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]propanoic acid
CID 106109727
ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate
CID 54948885
3-[bis(2-amino-2-oxoethyl)carbamoylamino]-2-methoxypropanoic acid
CID 114144690
3-[[(2R)-2-aminopropanoyl]amino]-2-methoxypropanoic acid
CID 106109032
2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801986
1-[(2S)-3,3-dimethylbutan-2-yl]-1-methyl-3-prop-2-enylurea
CID 95351070
(2S)-2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-3-methylpentanoic acid
CID 55009602
3-[(3-amino-4,4-dimethylpentanoyl)amino]-2-methoxypropanoic acid
CID 106109020

Frequently Asked Questions

What is the IUPAC name of 3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid?
The IUPAC name of 3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid (CID 106109985) is 3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid.
What is the SMILES notation for 3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid?
The canonical SMILES for 3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid is COC(CNC(=O)N(C)C(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid?
The InChIKey is NJMQCDXPLJCRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-8(12(2,3)4)14(5)11(17)13-7-9(18-6)10(15)16/h8-9H,7H2,1-6H3,(H,13,17)(H,15,16).
What are the key properties of 3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid?
3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid has a molecular weight of 260.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]-2-methoxypropanoic acid is sourced from PubChem (CID 106109985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).