4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid

C9H18N2O3 — CID 62846365

IUPAC4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
SMILESCNC(C)(C)C(=O)NCCCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-9(2,10-3)8(14)11-6-4-5-7(12)13/h10H,4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyHTDNZKGNMWPJEE-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.03
Rot. Bonds6

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

4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid (PubChem CID 62846365) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
PubChem CID62846365
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
SMILESCNC(C)(C)C(=O)NCCCC(=O)O
InChIInChI=1S/C9H18N2O3/c1-9(2,10-3)8(14)11-6-4-5-7(12)13/h10H,4-6H2,1-3H3,(H,11,14)(H,12,13)
InChIKeyHTDNZKGNMWPJEE-UHFFFAOYSA-N
XLogP-0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
2-methyl-2-(methylamino)-N-propylpropanamide
CID 21365766
sodium;hydride;4-[[2-methyl-2-(prop-2-enoylamino)propanoyl]amino]butanoic acid
CID 175046256
N-(2-aminoethyl)-2-methyl-2-(methylamino)propanamide
CID 62846737
N-(2-fluoroethyl)-2-methyl-2-(methylamino)propanamide
CID 130504047
4-(2,2-difluorobutanoylamino)butanoic acid
CID 89018957
4-(tert-butylcarbamoylamino)butanoic acid
CID 2185486
2-methyl-2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]propanamide
CID 106336691
2-methyl-2-(methylamino)-N-[3-(N-methylanilino)propyl]propanamide
CID 62834119
6-[(2-cyclopentyl-2-methylpropanoyl)amino]hexanoic acid
CID 120522460
3-methyl-3-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
CID 64684702
N-(2-butoxyethyl)-2-methyl-2-(methylamino)propanamide
CID 62847103

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid?
The IUPAC name of 4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid (CID 62846365) is 4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid?
The canonical SMILES for 4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid is CNC(C)(C)C(=O)NCCCC(=O)O.
What is the InChIKey of 4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid?
The InChIKey is HTDNZKGNMWPJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,10-3)8(14)11-6-4-5-7(12)13/h10H,4-6H2,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid?
4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid has a molecular weight of 202.25 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid is sourced from PubChem (CID 62846365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).