4-benzamido-5-(dipropylamino)-5-oxopentanoic acid

C18H26N2O4 — CID 4922

💊View drug profile → proglumide
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 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid

4-benzamido-5-(dipropylamino)-5-oxopentanoic acid (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 Name4-benzamido-5-(dipropylamino)-5-oxopentanoic acid
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
Agg-523
CID 16048422
Benzoyl-L-arginine
CID 97369
(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
Butanoic acid, 4-(benzoylamino)-
CID 37118
N-benzoyl-D-alanine
CID 91514
N-benzoylglutamic acid
CID 111218
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 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid?
The IUPAC name of 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid (CID 4922) is 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid.
What is the SMILES notation for 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid?
The canonical SMILES for 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid is CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1.
What is the InChIKey of 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid?
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 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid?
4-benzamido-5-(dipropylamino)-5-oxopentanoic acid 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 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid is sourced from PubChem (CID 4922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).