methyl 3-(3-benzamidobutanoylamino)propanoate

C15H20N2O4 — CID 134049234

IUPACmethyl 3-(3-benzamidobutanoylamino)propanoate
SMILESCOC(=O)CCNC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-11(10-13(18)16-9-8-14(19)21-2)17-15(20)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyBOPBBJVSUNZYHA-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.87
Rot. Bonds7

About methyl 3-(3-benzamidobutanoylamino)propanoate

methyl 3-(3-benzamidobutanoylamino)propanoate (PubChem CID 134049234) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 3-(3-benzamidobutanoylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-benzamidobutanoylamino)propanoate
PubChem CID134049234
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Namemethyl 3-(3-benzamidobutanoylamino)propanoate
SMILESCOC(=O)CCNC(=O)CC(C)NC(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-11(10-13(18)16-9-8-14(19)21-2)17-15(20)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18)(H,17,20)
InChIKeyBOPBBJVSUNZYHA-UHFFFAOYSA-N
XLogP0.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(3-benzamidobutanoylamino)butanoate
CID 46419094
methyl 3-benzamidobutanoate
CID 10857046
N-[(2S)-4-oxo-4-(3-phenoxypropylamino)butan-2-yl]benzamide
CID 92844284
methyl 3-(3-phenylbutanoylamino)propanoate
CID 78784490
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
N-[2-[[(3S)-3-benzamidobutanoyl]amino]ethyl]-3,4-dichlorobenzamide
CID 38993001
N-[4-[(6-methoxynaphthalen-2-yl)methylamino]-4-oxobutan-2-yl]benzamide
CID 51317181
methyl 3-[[(3S)-3-phenylpent-4-enoyl]amino]propanoate
CID 124572872
N-[4-[(2-hydroxy-2-phenylpropyl)amino]-4-oxobutan-2-yl]benzamide
CID 111334880
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-benzamidobutanoylamino)propanoate?
The IUPAC name of methyl 3-(3-benzamidobutanoylamino)propanoate (CID 134049234) is methyl 3-(3-benzamidobutanoylamino)propanoate.
What is the SMILES notation for methyl 3-(3-benzamidobutanoylamino)propanoate?
The canonical SMILES for methyl 3-(3-benzamidobutanoylamino)propanoate is COC(=O)CCNC(=O)CC(C)NC(=O)c1ccccc1.
What is the InChIKey of methyl 3-(3-benzamidobutanoylamino)propanoate?
The InChIKey is BOPBBJVSUNZYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-11(10-13(18)16-9-8-14(19)21-2)17-15(20)12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18)(H,17,20).
What are the key properties of methyl 3-(3-benzamidobutanoylamino)propanoate?
methyl 3-(3-benzamidobutanoylamino)propanoate has a molecular weight of 292.33 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-benzamidobutanoylamino)propanoate is sourced from PubChem (CID 134049234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).