methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate

C16H24N2O2 — CID 116693617

IUPACmethyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate
SMILESCOC(=O)C(CCN(C)C)(NC1CC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(2)12-11-16(15(19)20-3,17-14-9-10-14)13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
InChIKeyUGQVQKNHLKYYCT-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.76
Rot. Bonds7

About methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate

methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate (PubChem CID 116693617) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate
PubChem CID116693617
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate
SMILESCOC(=O)C(CCN(C)C)(NC1CC1)c1ccccc1
InChIInChI=1S/C16H24N2O2/c1-18(2)12-11-16(15(19)20-3,17-14-9-10-14)13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3
InChIKeyUGQVQKNHLKYYCT-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(dimethylamino)ethylamino]-4-methyl-2-phenylpentanoate
CID 61002861
2-(cyclopentylamino)-3-methoxy-2-phenylpropanamide
CID 103464910
2-(cyclopropylamino)-2-phenyl-4-propoxybutanamide
CID 116694311
methyl 2-(cyclopentylamino)-2-(4-methylphenyl)butanoate
CID 60999109
4-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylbutanamide
CID 116694565
2-(cyclohexylamino)-2-phenylbutanoic acid
CID 60997703
2-(cyclopropylamino)-3-(3-hydroxy-2-methylpropyl)sulfanyl-2-phenylpropanoic acid
CID 66105625
4-cyclopentyl-6-(dimethylamino)-4-phenylhexan-3-one
CID 10266085
methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate
CID 95304784
methyl 3-(cyclopentylmethoxy)-2-(methylamino)-2-phenylpropanoate
CID 66321617
2-(cyclopropylamino)-3-(3-hydroxybutan-2-ylsulfanyl)-2-phenylpropanoic acid
CID 107771893
methyl 3-amino-2-cyclobutyl-2-phenylpropanoate
CID 106489211

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate?
The IUPAC name of methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate (CID 116693617) is methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate is COC(=O)C(CCN(C)C)(NC1CC1)c1ccccc1.
What is the InChIKey of methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate?
The InChIKey is UGQVQKNHLKYYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(2)12-11-16(15(19)20-3,17-14-9-10-14)13-7-5-4-6-8-13/h4-8,14,17H,9-12H2,1-3H3.
What are the key properties of methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate?
methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate has a molecular weight of 276.38 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-4-(dimethylamino)-2-phenylbutanoate is sourced from PubChem (CID 116693617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).