methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate

C14H22N2O2 — CID 116693670

IUPACmethyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate
SMILESCCN(C)CCC(N)(C(=O)OC)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-4-16(2)11-10-14(15,13(17)18-3)12-8-6-5-7-9-12/h5-9H,4,10-11,15H2,1-3H3
InChIKeyQLSVNKBCTCENMF-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.36
Rot. Bonds6

About methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate

methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate (PubChem CID 116693670) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate
PubChem CID116693670
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Namemethyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate
SMILESCCN(C)CCC(N)(C(=O)OC)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-4-16(2)11-10-14(15,13(17)18-3)12-8-6-5-7-9-12/h5-9H,4,10-11,15H2,1-3H3
InChIKeyQLSVNKBCTCENMF-UHFFFAOYSA-N
XLogP1.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[methyl(3,3,3-trifluoropropyl)amino]-2-phenylbutanamide
CID 116693883
methyl 2-amino-4-(2,5-dioxopyrrolidin-1-yl)-2-phenylbutanoate
CID 116694039
methyl 2-amino-2-phenyl-3-(3,3,3-trifluoropropoxy)propanoate
CID 82958729
methyl (2R)-2-amino-4-methyl-2-phenylpentanoate
CID 142371197
methyl 2-amino-4-(2-methylbutylsulfanyl)-2-phenylbutanoate
CID 107755976
methyl 2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoate
CID 82941864
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
methyl 2-amino-4-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylbutanoate
CID 116694763
methyl 2-amino-2-methyl-4-[methyl(2-phenylethyl)amino]butanoate
CID 65485948
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
methyl 2-amino-4-(1,4-oxazepan-4-yl)-2-phenylbutanoate
CID 116693847
methyl 2-amino-2-phenyl-4-pyrazin-2-ylsulfanylbutanoate
CID 116694735

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate?
The IUPAC name of methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate (CID 116693670) is methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate.
What is the SMILES notation for methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate?
The canonical SMILES for methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate is CCN(C)CCC(N)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate?
The InChIKey is QLSVNKBCTCENMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-16(2)11-10-14(15,13(17)18-3)12-8-6-5-7-9-12/h5-9H,4,10-11,15H2,1-3H3.
What are the key properties of methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate?
methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate has a molecular weight of 250.34 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-[ethyl(methyl)amino]-2-phenylbutanoate is sourced from PubChem (CID 116693670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).