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

C18H26N2O4 — CID 6603906

IUPAC(4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)[C@@H](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)/t15-/m1/s1
InChIKeyDGMKFQYCZXERLX-OAHLLOKOSA-N
MW334.42 g/mol
LogP2.30
Rot. Bonds10

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

(4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid (PubChem CID 6603906) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is (4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid
PubChem CID6603906
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name(4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)[C@@H](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)/t15-/m1/s1
InChIKeyDGMKFQYCZXERLX-OAHLLOKOSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid?
The IUPAC name of (4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid (CID 6603906) is (4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid?
The canonical SMILES for (4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid is CCCN(CCC)C(=O)[C@@H](CCC(=O)O)NC(=O)c1ccccc1.
What is the InChIKey of (4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid?
The InChIKey is DGMKFQYCZXERLX-OAHLLOKOSA-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)/t15-/m1/s1.
What are the key properties of (4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid?
(4R)-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 (4R)-4-benzamido-5-(dipropylamino)-5-oxopentanoic acid is sourced from PubChem (CID 6603906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).