4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid

C17H21N5O4 — CID 69260699

IUPAC4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NC1CC(C(=O)O)N(C(=O)CNC2=NCCN2)C1)c1ccccc1
InChIInChI=1S/C17H21N5O4/c23-14(9-20-17-18-6-7-19-17)22-10-12(8-13(22)16(25)26)21-15(24)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,21,24)(H,25,26)(H2,18,19,20)
InChIKeyUXFMNYFHBCXUON-UHFFFAOYSA-N
MW359.39 g/mol
LogP-0.98
Rot. Bonds5

About 4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid

4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 69260699) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID69260699
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NC1CC(C(=O)O)N(C(=O)CNC2=NCCN2)C1)c1ccccc1
InChIInChI=1S/C17H21N5O4/c23-14(9-20-17-18-6-7-19-17)22-10-12(8-13(22)16(25)26)21-15(24)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,21,24)(H,25,26)(H2,18,19,20)
InChIKeyUXFMNYFHBCXUON-UHFFFAOYSA-N
XLogP-0.98
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 5-0.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzamido-1-[2-(1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 69262252
(4S)-4-benzamido-1-methoxycarbonylpyrrolidine-2-carboxylic acid
CID 102449185
(2S,4R)-1-(2-aminoacetyl)-4-benzamidopyrrolidine-2-carboxamide
CID 16735101
(2S,4R)-4-benzamido-1-[3-[[3-[(2S,4R)-4-benzamido-2-carboxypyrrolidin-1-yl]-2-methyl-3-oxopropyl]disulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylic acid
CID 18596069
methyl 4-benzamido-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylate;hydrochloride
CID 68515378
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 67394023
(2S,4R)-1-(2-aminoacetyl)-4-benzamido-N-propan-2-ylpyrrolidine-2-carboxamide
CID 16737759
(2S,4R)-1-(2-aminoacetyl)-4-[(4-nitrobenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 16738245
[4-benzamido-1-[2-(methylamino)acetyl]pyrrolidin-2-yl] hydrogen carbonate
CID 121482127
(2S,4R)-1-(2-aminoacetyl)-4-[(2-methylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 67394288
1-(2-aminoacetyl)-4-[(2-phenylacetyl)amino]pyrrolidine-2-carboxylic acid
CID 67392649
N-[(3R,5S)-1-(2-aminoacetyl)-5-(1H-pyrazol-5-yl)pyrrolidin-3-yl]benzamide
CID 67393372

Frequently Asked Questions

What is the IUPAC name of 4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid (CID 69260699) is 4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid is O=C(NC1CC(C(=O)O)N(C(=O)CNC2=NCCN2)C1)c1ccccc1.
What is the InChIKey of 4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is UXFMNYFHBCXUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c23-14(9-20-17-18-6-7-19-17)22-10-12(8-13(22)16(25)26)21-15(24)11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,21,24)(H,25,26)(H2,18,19,20).
What are the key properties of 4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid?
4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 359.39 g/mol, XLogP of -0.98, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamido-1-[2-(4,5-dihydro-1H-imidazol-2-ylamino)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69260699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).