(2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid

C16H19N3O4 — CID 119370651

IUPAC(2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H19N3O4/c20-14(19-8-2-4-13(19)15(21)22)5-1-3-10-6-7-11-12(9-10)18-16(23)17-11/h6-7,9,13H,1-5,8H2,(H,21,22)(H2,17,18,23)/t13-/m1/s1
InChIKeyNAKLHKYZDMNPHO-CYBMUJFWSA-N
MW317.34 g/mol
LogP1.25
Rot. Bonds5

About (2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119370651) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is (2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119370651
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC Name(2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H19N3O4/c20-14(19-8-2-4-13(19)15(21)22)5-1-3-10-6-7-11-12(9-10)18-16(23)17-11/h6-7,9,13H,1-5,8H2,(H,21,22)(H2,17,18,23)/t13-/m1/s1
InChIKeyNAKLHKYZDMNPHO-CYBMUJFWSA-N
XLogP1.25
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 119651216
5-[4-[(2S)-2-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 124571200
(2S)-1-(4-phenylbutanoyl)piperidine-2-carboxylic acid
CID 15080754
(2S)-1-[3-(3,4-dichlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365191
5-[4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydrobenzimidazol-2-one
CID 124590121
1-[5-(4-methylphenyl)pentanoyl]piperidine-2-carboxylic acid
CID 119176003
N-(2-aminoethyl)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 119481551
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
1-[4-(2,5-dimethylthiophen-3-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119355635
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
(2R)-1-[3-(3-methylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922373

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid (CID 119370651) is (2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)CCCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of (2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NAKLHKYZDMNPHO-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-14(19-8-2-4-13(19)15(21)22)5-1-3-10-6-7-11-12(9-10)18-16(23)17-11/h6-7,9,13H,1-5,8H2,(H,21,22)(H2,17,18,23)/t13-/m1/s1.
What are the key properties of (2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 317.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119370651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).