methyl 4-(2,2-dimethylpropylamino)butanoate

C10H21NO2 — CID 61168407

IUPACmethyl 4-(2,2-dimethylpropylamino)butanoate
SMILESCOC(=O)CCCNCC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,3)8-11-7-5-6-9(12)13-4/h11H,5-8H2,1-4H3
InChIKeyJAXNLTYZECPNNS-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.58
Rot. Bonds5

About methyl 4-(2,2-dimethylpropylamino)butanoate

methyl 4-(2,2-dimethylpropylamino)butanoate (PubChem CID 61168407) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl 4-(2,2-dimethylpropylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethylpropylamino)butanoate
PubChem CID61168407
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl 4-(2,2-dimethylpropylamino)butanoate
SMILESCOC(=O)CCCNCC(C)(C)C
InChIInChI=1S/C10H21NO2/c1-10(2,3)8-11-7-5-6-9(12)13-4/h11H,5-8H2,1-4H3
InChIKeyJAXNLTYZECPNNS-UHFFFAOYSA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.58
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-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 60926530
methyl 4-[(2-cyclopentyl-2-methylpropyl)amino]butanoate
CID 115233556
methyl 4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 54383502
methyl 4-(ethylamino)butanoate;dihydrochloride
CID 174870876
4-[(4-methoxy-4-oxobutyl)amino]butanoic acid
CID 139888388
methyl 4-(3-hydroxypropylamino)butanoate
CID 43392879
methyl 4-(2,3,3-trimethylbutylamino)butanoate
CID 83144515
methyl 4-[[2-(4-bromophenyl)-2-methylpropyl]amino]butanoate
CID 115233542
methyl 6,6-dimethylheptanoate
CID 20777196
methyl 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoate
CID 115233545
methyl 4-(decylamino)butanoate;hydrochloride
CID 71755516
methyl 4-(2-methylbutan-2-ylamino)butanoate
CID 43377779

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethylpropylamino)butanoate?
The IUPAC name of methyl 4-(2,2-dimethylpropylamino)butanoate (CID 61168407) is methyl 4-(2,2-dimethylpropylamino)butanoate.
What is the SMILES notation for methyl 4-(2,2-dimethylpropylamino)butanoate?
The canonical SMILES for methyl 4-(2,2-dimethylpropylamino)butanoate is COC(=O)CCCNCC(C)(C)C.
What is the InChIKey of methyl 4-(2,2-dimethylpropylamino)butanoate?
The InChIKey is JAXNLTYZECPNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,3)8-11-7-5-6-9(12)13-4/h11H,5-8H2,1-4H3.
What are the key properties of methyl 4-(2,2-dimethylpropylamino)butanoate?
methyl 4-(2,2-dimethylpropylamino)butanoate has a molecular weight of 187.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethylpropylamino)butanoate is sourced from PubChem (CID 61168407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).