3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid

C10H20N2O3 — CID 64702187

IUPAC3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
SMILESCC(C)CNC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)6-11-9(15)12-10(3,4)5-8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15)
InChIKeyMHHCQUWQVAXNLL-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.19
Rot. Bonds5

About 3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid

3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid (PubChem CID 64702187) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
PubChem CID64702187
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid
SMILESCC(C)CNC(=O)NC(C)(C)CC(=O)O
InChIInChI=1S/C10H20N2O3/c1-7(2)6-11-9(15)12-10(3,4)5-8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15)
InChIKeyMHHCQUWQVAXNLL-UHFFFAOYSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[3-(2-methylpropoxy)propylcarbamoylamino]butanoic acid
CID 114098397
2,2,3-trimethyl-3-(2-methylpropylcarbamoylamino)butanoic acid
CID 65266119
3-methyl-3-[[2-(methylamino)-2-oxoethyl]carbamoylamino]butanoic acid
CID 64702407
3-methyl-3-(2,2,3,3-tetrafluoropropylcarbamoylamino)butanoic acid
CID 106294878
5-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-4-methylpentanoic acid
CID 114143086
3-[[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]methyl]pentanoic acid
CID 106097804
3-[2-(dimethylamino)ethylcarbamoylamino]-3-methylbutanoic acid
CID 64699841
3-methyl-3-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 64701489
3-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanoic acid
CID 64700346
3-(2,3-dimethylbutanoylamino)-3-methylbutanoic acid
CID 64670496
3-methyl-4-(2-methylpropylamino)-4-oxobutanoic acid
CID 58719925
3-(hex-5-ynylcarbamoylamino)-3-methylbutanoic acid
CID 106216137

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid?
The IUPAC name of 3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid (CID 64702187) is 3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid.
What is the SMILES notation for 3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid?
The canonical SMILES for 3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid is CC(C)CNC(=O)NC(C)(C)CC(=O)O.
What is the InChIKey of 3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid?
The InChIKey is MHHCQUWQVAXNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7(2)6-11-9(15)12-10(3,4)5-8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15).
What are the key properties of 3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid?
3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid has a molecular weight of 216.28 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylpropylcarbamoylamino)butanoic acid is sourced from PubChem (CID 64702187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).