(2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid

C19H19N3O3 — CID 44517642

IUPAC(2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid
SMILESO=C(CCc1ccccc1)N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C19H19N3O3/c23-18(11-10-13-6-2-1-3-7-13)22-16(19(24)25)12-17-20-14-8-4-5-9-15(14)21-17/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H,24,25)/t16-/m1/s1
InChIKeyAZXJPZVGZBWZMA-MRXNPFEDSA-N
MW337.38 g/mol
LogP2.31
Rot. Bonds7

About (2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid

(2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid (PubChem CID 44517642) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid
PubChem CID44517642
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid
SMILESO=C(CCc1ccccc1)N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O
InChIInChI=1S/C19H19N3O3/c23-18(11-10-13-6-2-1-3-7-13)22-16(19(24)25)12-17-20-14-8-4-5-9-15(14)21-17/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H,24,25)/t16-/m1/s1
InChIKeyAZXJPZVGZBWZMA-MRXNPFEDSA-N
XLogP2.31
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-N-[1-(1H-1,3-benzodiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
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tert-butyl N-[(E,2S,3S,5R)-5-[[(2S,3S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid?
The IUPAC name of (2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid (CID 44517642) is (2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid?
The canonical SMILES for (2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid is O=C(CCc1ccccc1)N[C@H](Cc1nc2ccccc2[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid?
The InChIKey is AZXJPZVGZBWZMA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(11-10-13-6-2-1-3-7-13)22-16(19(24)25)12-17-20-14-8-4-5-9-15(14)21-17/h1-9,16H,10-12H2,(H,20,21)(H,22,23)(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid?
(2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid has a molecular weight of 337.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-benzimidazol-2-yl)-2-(3-phenylpropanoylamino)propanoic acid is sourced from PubChem (CID 44517642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).