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Proglumide

C18H26N2O4 — CID 4922

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-benzamido-5-(dipropylamino)-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1
InChIInChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyDGMKFQYCZXERLX-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.30
Rot. Bonds10

About Proglumide

Proglumide (PubChem CID 4922) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid.

Molecular Properties

Compound NameProglumide
PubChem CID4922
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name4-benzamido-5-(dipropylamino)-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1
InChIInChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyDGMKFQYCZXERLX-UHFFFAOYSA-N
XLogP2.30
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Lorglumide
CID 3960
Danegaptide
CID 16656685
(2S)-3-methyl-2-(phenylformamido)butanoic acid
CID 730290
Amiglumide
CID 10478431
N-{[(1s)-1-Carboxy-5-{[(4-Iodophenyl)carbonyl]amino}pentyl]carbamoyl}-L-Glutamic Acid
CID 24951652
3-{(S)-1-[2-(4-Carbamimidoyl-benzoylamino)-acetyl]-4-carboxymethyl-3-oxo-piperazin-2-yl}-propionic acid
CID 10622650
3-((S)-1-{2-[4-(2-Amino-ethyl)-benzoylamino]-acetyl}-4-carboxymethyl-3-oxo-piperazin-2-yl)-propionic acid
CID 10788947

Frequently Asked Questions

What is the IUPAC name of Proglumide?
The IUPAC name of Proglumide (CID 4922) is 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid.
What is the SMILES notation for Proglumide?
The canonical SMILES for Proglumide is CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1.
What is the InChIKey of Proglumide?
The InChIKey is DGMKFQYCZXERLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of Proglumide?
Proglumide has a molecular weight of 334.42 g/mol, XLogP of 2.30, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Proglumide is sourced from PubChem (CID 4922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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