3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid

C19H22N4O5 — CID 70585425

IUPAC3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)C1CCCN1
InChIInChI=1S/C19H22N4O5/c24-17(15-7-4-8-21-15)23(16(18(25)26)9-14-10-20-12-22-14)19(27)28-11-13-5-2-1-3-6-13/h1-3,5-6,10,12,15-16,21H,4,7-9,11H2,(H,20,22)(H,25,26)
InChIKeyALFGNTZTYGNKEK-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.32
Rot. Bonds7

About 3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid

3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid (PubChem CID 70585425) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid
PubChem CID70585425
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Name3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid
SMILESO=C(O)C(Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)C1CCCN1
InChIInChI=1S/C19H22N4O5/c24-17(15-7-4-8-21-15)23(16(18(25)26)9-14-10-20-12-22-14)19(27)28-11-13-5-2-1-3-6-13/h1-3,5-6,10,12,15-16,21H,4,7-9,11H2,(H,20,22)(H,25,26)
InChIKeyALFGNTZTYGNKEK-UHFFFAOYSA-N
XLogP1.32
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-amino-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]hexanoyl]amino]acetic acid
CID 70492813
benzyl N-(2-hydroxyacetyl)-N-[(2S)-pyrrolidine-2-carbonyl]carbamate
CID 54088548
3-(1H-imidazol-5-yl)-2-[[3-phenyl-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]propanoic acid
CID 18223661
benzyl N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-N-methylcarbamate
CID 10686964
(2R)-3-(1H-imidazol-5-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 736161
2-aminoacetic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;pyrrolidine-2-carboxylic acid
CID 66800763
(2S)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 122581370
[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl] (2R)-pyrrolidine-2-carboxylate
CID 88805910
benzyl N-[(2S)-pyrrolidine-2-carbonyl]-N-(4-sulfamoylphenyl)carbamate
CID 54062276
2-[[2-(phenylmethoxycarbonylamino)acetyl]-(pyrrolidine-2-carbonyl)amino]propanoic acid
CID 67827713
2-[cyclopentyl(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 174591742
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-3-sulfanylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 175590297

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid (CID 70585425) is 3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid is O=C(O)C(Cc1cnc[nH]1)N(C(=O)OCc1ccccc1)C(=O)C1CCCN1.
What is the InChIKey of 3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid?
The InChIKey is ALFGNTZTYGNKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c24-17(15-7-4-8-21-15)23(16(18(25)26)9-14-10-20-12-22-14)19(27)28-11-13-5-2-1-3-6-13/h1-3,5-6,10,12,15-16,21H,4,7-9,11H2,(H,20,22)(H,25,26).
What are the key properties of 3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid?
3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid has a molecular weight of 386.41 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)-2-[phenylmethoxycarbonyl(pyrrolidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 70585425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).