methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate

C10H20N2O3 — CID 119326927

IUPACmethyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)CCCN
InChIInChI=1S/C10H20N2O3/c1-10(2,9(14)15-3)7-12-8(13)5-4-6-11/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyNIOYKFQKTWTUSX-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.04
Rot. Bonds6

About methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate

methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate (PubChem CID 119326927) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate
PubChem CID119326927
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(=O)CCCN
InChIInChI=1S/C10H20N2O3/c1-10(2,9(14)15-3)7-12-8(13)5-4-6-11/h4-7,11H2,1-3H3,(H,12,13)
InChIKeyNIOYKFQKTWTUSX-UHFFFAOYSA-N
XLogP0.04
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-aminopentanoylamino)-N,2,2-trimethylpropanamide
CID 106276822
4-amino-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 65106740
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
4-amino-N-[2-methyl-2-(methyldisulfanyl)propyl]butanamide
CID 145408421
3-(3-aminopropanoylamino)-2,2-dimethylpropanamide
CID 103795627
4-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]butanamide
CID 110460825
5-amino-N-(3-hydroxy-2,2-dimethylpropyl)pentanamide
CID 115360270
4-amino-N-(2-methoxy-3,3-dimethylbutyl)butanamide;hydrochloride
CID 119341487
4-amino-N-[2-methyl-2-(4-methylphenyl)propyl]butanamide;hydrochloride
CID 119318689
N-(3-amino-2,2-dimethylpropyl)-4-methoxybutanamide
CID 115365695
5-amino-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 79550040

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate (CID 119326927) is methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNC(=O)CCCN.
What is the InChIKey of methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate?
The InChIKey is NIOYKFQKTWTUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,9(14)15-3)7-12-8(13)5-4-6-11/h4-7,11H2,1-3H3,(H,12,13).
What are the key properties of methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate?
methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate has a molecular weight of 216.28 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-aminobutanoylamino)-2,2-dimethylpropanoate is sourced from PubChem (CID 119326927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).