methyl 4-(2-methylbutan-2-ylamino)butanoate

C10H21NO2 — CID 43377779

IUPACmethyl 4-(2-methylbutan-2-ylamino)butanoate
SMILESCCC(C)(C)NCCCC(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-10(2,3)11-8-6-7-9(12)13-4/h11H,5-8H2,1-4H3
InChIKeyLWMRJYCXPJVFRB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.72
Rot. Bonds6

About methyl 4-(2-methylbutan-2-ylamino)butanoate

methyl 4-(2-methylbutan-2-ylamino)butanoate (PubChem CID 43377779) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 4-(2-methylbutan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-methylbutan-2-ylamino)butanoate
PubChem CID43377779
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 4-(2-methylbutan-2-ylamino)butanoate
SMILESCCC(C)(C)NCCCC(=O)OC
InChIInChI=1S/C10H21NO2/c1-5-10(2,3)11-8-6-7-9(12)13-4/h11H,5-8H2,1-4H3
InChIKeyLWMRJYCXPJVFRB-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 4-(diethylamino)butanoate--hydrogen bromide (1/1)
CID 44909
Methyl 4-(ethylamino)butanoate hydrochloride
CID 118798526
4-(3-Methoxycarbonyl-propylamino)-butyric acid methyl ester
CID 54310204
Methyl 4-(ethylamino)butanoate
CID 43216361
Ethyl 4-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 263044
4-(Tert-butylamino)butanoic acid
CID 312878
Methyl 3-(tert-butylamino)-2-methylbutanoate
CID 103718941
Methyl 4-(propan-2-ylamino)butanoate;hydrochloride
CID 24197045
Methyl 4-[(propan-2-yl)amino]butanoate
CID 429044
Ethyl 4-(ethylamino)butanoate
CID 13171987
Ethyl 4-(2-methylbut-3-yn-2-ylamino)butanoate
CID 20292085
Ethyl 4-(2-methylbutan-2-ylamino)butanoate
CID 20292189

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-methylbutan-2-ylamino)butanoate?
The IUPAC name of methyl 4-(2-methylbutan-2-ylamino)butanoate (CID 43377779) is methyl 4-(2-methylbutan-2-ylamino)butanoate.
What is the SMILES notation for methyl 4-(2-methylbutan-2-ylamino)butanoate?
The canonical SMILES for methyl 4-(2-methylbutan-2-ylamino)butanoate is CCC(C)(C)NCCCC(=O)OC.
What is the InChIKey of methyl 4-(2-methylbutan-2-ylamino)butanoate?
The InChIKey is LWMRJYCXPJVFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-10(2,3)11-8-6-7-9(12)13-4/h11H,5-8H2,1-4H3.
What are the key properties of methyl 4-(2-methylbutan-2-ylamino)butanoate?
methyl 4-(2-methylbutan-2-ylamino)butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-methylbutan-2-ylamino)butanoate is sourced from PubChem (CID 43377779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).