4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid

C10H20N2O3 — CID 43151937

IUPAC4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
SMILESCC(C)CNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-8(2)7-11-10(15)12(3)6-4-5-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyAFQWBIKIAMUOQI-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.15
Rot. Bonds6

About 4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid

4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid (PubChem CID 43151937) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
PubChem CID43151937
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
SMILESCC(C)CNC(=O)N(C)CCCC(=O)O
InChIInChI=1S/C10H20N2O3/c1-8(2)7-11-10(15)12(3)6-4-5-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyAFQWBIKIAMUOQI-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[methyl-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]amino]butanoic acid
CID 114139559
4-[methyl(2,2,3-trimethylbutylcarbamoyl)amino]butanoic acid
CID 114101324
4-[2-ethylhexylcarbamoyl(methyl)amino]butanoic acid
CID 107817325
4-[N-(2-methylpropylcarbamoyl)anilino]butanoic acid
CID 61188835
5-[[5-hydroxypentyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107201655
4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid
CID 104829242
4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 113406371
4-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-methylamino]butanoic acid
CID 106346533
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl-methylamino]butanoic acid
CID 61479113
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
4-[2-methoxypropanoyl(methyl)amino]butanoic acid
CID 115729894
6-[[3-hydroxybutyl(methyl)carbamoyl]amino]hexanoic acid
CID 113499758

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid?
The IUPAC name of 4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid (CID 43151937) is 4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid.
What is the SMILES notation for 4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid?
The canonical SMILES for 4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid is CC(C)CNC(=O)N(C)CCCC(=O)O.
What is the InChIKey of 4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid?
The InChIKey is AFQWBIKIAMUOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-8(2)7-11-10(15)12(3)6-4-5-9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid?
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid is sourced from PubChem (CID 43151937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).