methyl 2-phenyl-2-(propan-2-ylamino)butanoate

C14H21NO2 — CID 60786838

IUPACmethyl 2-phenyl-2-(propan-2-ylamino)butanoate
SMILESCCC(NC(C)C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-5-14(13(16)17-4,15-11(2)3)12-9-7-6-8-10-12/h6-11,15H,5H2,1-4H3
InChIKeyIVRJRHUMRAKKMQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds5

About methyl 2-phenyl-2-(propan-2-ylamino)butanoate

methyl 2-phenyl-2-(propan-2-ylamino)butanoate (PubChem CID 60786838) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is methyl 2-phenyl-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(propan-2-ylamino)butanoate
PubChem CID60786838
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Namemethyl 2-phenyl-2-(propan-2-ylamino)butanoate
SMILESCCC(NC(C)C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-5-14(13(16)17-4,15-11(2)3)12-9-7-6-8-10-12/h6-11,15H,5H2,1-4H3
InChIKeyIVRJRHUMRAKKMQ-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
CID 116694272
2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide
CID 60787687
methyl (2R)-2-(cyclobutanecarbonylamino)-2-phenylbutanoate
CID 95304784
ethyl 2-(4-fluorophenyl)-2-(propan-2-ylamino)butanoate
CID 60786506
2-(4-ethylphenyl)-2-(propan-2-ylamino)butanoic acid
CID 43754189
methyl 2-methyl-2-phenylbutanoate
CID 562613
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356
methyl 2-anilino-2-(4-fluorophenyl)butanoate
CID 60992178
methyl (2S)-2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-phenylbutanoate
CID 95308682
methyl 2-(methylamino)-4-pentan-2-yloxy-2-phenylbutanoate
CID 102984075
methyl (2S)-2-cyano-2-phenylbutanoate
CID 12851218
methyl 4-methyl-2-phenyl-2-(prop-2-ynylamino)pentanoate
CID 62365289

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(propan-2-ylamino)butanoate?
The IUPAC name of methyl 2-phenyl-2-(propan-2-ylamino)butanoate (CID 60786838) is methyl 2-phenyl-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for methyl 2-phenyl-2-(propan-2-ylamino)butanoate?
The canonical SMILES for methyl 2-phenyl-2-(propan-2-ylamino)butanoate is CCC(NC(C)C)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(propan-2-ylamino)butanoate?
The InChIKey is IVRJRHUMRAKKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(13(16)17-4,15-11(2)3)12-9-7-6-8-10-12/h6-11,15H,5H2,1-4H3.
What are the key properties of methyl 2-phenyl-2-(propan-2-ylamino)butanoate?
methyl 2-phenyl-2-(propan-2-ylamino)butanoate has a molecular weight of 235.33 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 60786838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).