methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate

C15H22N2O3 — CID 63324390

IUPACmethyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-20-15(19)8-5-11-17-14(18)10-9-13(16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,17,18)
InChIKeyZRSOEYDXGPUSRN-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.54
Rot. Bonds8

About methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate

methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate (PubChem CID 63324390) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
PubChem CID63324390
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)CCC(N)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-20-15(19)8-5-11-17-14(18)10-9-13(16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,17,18)
InChIKeyZRSOEYDXGPUSRN-UHFFFAOYSA-N
XLogP1.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-amino-4-oxobutyl)-4-phenylbutanamide
CID 63323993
4-amino-N-(3-methylsulfonylpropyl)-4-phenylbutanamide
CID 63323905
4-amino-4-phenyl-N-(4-propan-2-yloxybutyl)butanamide
CID 106011430
methyl 4-[[2-(2,2-diphenylacetyl)oxyacetyl]amino]butanoate
CID 9229280
methyl 7-amino-7-phenylheptanoate
CID 139616773
4-amino-N-[4-(dimethylamino)butyl]-4-phenylbutanamide
CID 63323737
4-amino-N-(2-methoxypropyl)-4-phenylbutanamide
CID 102695108
4-amino-N-[2-oxo-2-(propylamino)ethyl]-4-phenylbutanamide
CID 63323848
4-[(3-amino-3-phenylpropanoyl)amino]butanamide
CID 60865046
5-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoic acid
CID 115867289
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
N-(3-amino-3-phenylpropyl)octanamide
CID 80506646

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate?
The IUPAC name of methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate (CID 63324390) is methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate?
The canonical SMILES for methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate is COC(=O)CCCNC(=O)CCC(N)c1ccccc1.
What is the InChIKey of methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate?
The InChIKey is ZRSOEYDXGPUSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-15(19)8-5-11-17-14(18)10-9-13(16)12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,17,18).
What are the key properties of methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate?
methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate has a molecular weight of 278.35 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-amino-4-phenylbutanoyl)amino]butanoate is sourced from PubChem (CID 63324390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).