(4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid

C19H29NO5S — CID 157361544

IUPAC(4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)[C@@H](CCC(=O)O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H29NO5S/c1-4-12-20(13-5-2)19(23)16(8-11-18(21)22)14-26(24,25)17-9-6-15(3)7-10-17/h6-7,9-10,16H,4-5,8,11-14H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyFVICGXYCOALFMY-INIZCTEOSA-N
MW383.51 g/mol
LogP2.90
Rot. Bonds11

About (4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid

(4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid (PubChem CID 157361544) has the molecular formula C19H29NO5S and a molecular weight of 383.51 g/mol. Its IUPAC name is (4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid
PubChem CID157361544
Molecular FormulaC19H29NO5S
Molecular Weight383.51 g/mol
Exact Mass383.18
IUPAC Name(4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)[C@@H](CCC(=O)O)CS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H29NO5S/c1-4-12-20(13-5-2)19(23)16(8-11-18(21)22)14-26(24,25)17-9-6-15(3)7-10-17/h6-7,9-10,16H,4-5,8,11-14H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyFVICGXYCOALFMY-INIZCTEOSA-N
XLogP2.90
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid?
The IUPAC name of (4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid (CID 157361544) is (4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid is CCCN(CCC)C(=O)[C@@H](CCC(=O)O)CS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid?
The InChIKey is FVICGXYCOALFMY-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29NO5S/c1-4-12-20(13-5-2)19(23)16(8-11-18(21)22)14-26(24,25)17-9-6-15(3)7-10-17/h6-7,9-10,16H,4-5,8,11-14H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid?
(4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid has a molecular weight of 383.51 g/mol, XLogP of 2.90, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(dipropylamino)-4-[(4-methylphenyl)sulfonylmethyl]-5-oxopentanoic acid is sourced from PubChem (CID 157361544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).