methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate

C15H22N2O3 — CID 119320311

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

About methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate

methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate (PubChem CID 119320311) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl 4-(4-aminobutanoylamino)-4-phenylbutanoate
PubChem CID119320311
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 4-(4-aminobutanoylamino)-4-phenylbutanoate
SMILESCOC(=O)CCC(NC(=O)CCCN)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-20-15(19)10-9-13(12-6-3-2-4-7-12)17-14(18)8-5-11-16/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,17,18)
InChIKeyUFDCVGZZKMVYHM-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

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Related Compounds

methyl 4-[4-(methylamino)butanoylamino]-4-phenylbutanoate
CID 119777925
methyl 4-[(2-chloroacetyl)amino]-4-phenylbutanoate
CID 154856523
methyl 4-[(4-amino-3-methoxybutanoyl)amino]-4-phenylbutanoate
CID 120591892
4-amino-N-(1-phenylpropyl)butanamide
CID 62305395
methyl 3-(3-aminopropanoylamino)-3-phenylpropanoate;hydrochloride
CID 119274310
3-(9-aminononanoylamino)-3-phenylpropanoic acid;methoxymethane
CID 160625754
methyl 2-(4-aminobutanoylamino)-2-phenylacetate;hydrochloride
CID 119280894
4-amino-N-[2-(4-chlorophenyl)-1-phenylethyl]butanamide
CID 119300535
methyl 4-[[2-(cyclopropylmethylamino)acetyl]amino]-4-phenylbutanoate;hydrochloride
CID 119777938
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
methyl (3S)-3-(pentanoylamino)-3-phenylpropanoate
CID 94017394
7-amino-N-(2-hydroxy-1-phenylethyl)heptanamide
CID 63183869

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate?
The IUPAC name of methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate (CID 119320311) is methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate.
What is the SMILES notation for methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate?
The canonical SMILES for methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate is COC(=O)CCC(NC(=O)CCCN)c1ccccc1.
What is the InChIKey of methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate?
The InChIKey is UFDCVGZZKMVYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-15(19)10-9-13(12-6-3-2-4-7-12)17-14(18)8-5-11-16/h2-4,6-7,13H,5,8-11,16H2,1H3,(H,17,18).
What are the key properties of methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate?
methyl 4-(4-aminobutanoylamino)-4-phenylbutanoate 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-aminobutanoylamino)-4-phenylbutanoate is sourced from PubChem (CID 119320311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).