(1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid

C16H23N2O5P — CID 88698151

IUPAC(1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid
SMILESNC(CCc1ccccc1)P(=O)(O)CC(=O)OC(=O)[C@@H]1CCCN1
InChIInChI=1S/C16H23N2O5P/c17-14(9-8-12-5-2-1-3-6-12)24(21,22)11-15(19)23-16(20)13-7-4-10-18-13/h1-3,5-6,13-14,18H,4,7-11,17H2,(H,21,22)/t13-,14?/m0/s1
InChIKeyZACDGFVMWXEQBS-LSLKUGRBSA-N
MW354.34 g/mol
LogP1.00
Rot. Bonds7

About (1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid

(1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid (PubChem CID 88698151) has the molecular formula C16H23N2O5P and a molecular weight of 354.34 g/mol. Its IUPAC name is (1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid.

Molecular Properties

Compound Name(1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid
PubChem CID88698151
Molecular FormulaC16H23N2O5P
Molecular Weight354.34 g/mol
Exact Mass354.13
IUPAC Name(1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid
SMILESNC(CCc1ccccc1)P(=O)(O)CC(=O)OC(=O)[C@@H]1CCCN1
InChIInChI=1S/C16H23N2O5P/c17-14(9-8-12-5-2-1-3-6-12)24(21,22)11-15(19)23-16(20)13-7-4-10-18-13/h1-3,5-6,13-14,18H,4,7-11,17H2,(H,21,22)/t13-,14?/m0/s1
InChIKeyZACDGFVMWXEQBS-LSLKUGRBSA-N
XLogP1.00
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzyl-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid
CID 88790917
(4-amino-2-benzyl-4-oxobutanoyl) (2S)-pyrrolidine-2-carboxylate
CID 88797267
(5-amino-2-benzyl-5-oxopentanoyl) (2S)-pyrrolidine-2-carboxylate
CID 88797204
2-aminopropanoic acid;benzyl pyrrolidine-2-carboxylate
CID 19802280
[ethyl-[(2S)-pyrrolidine-2-carbonyl]oxycarbonylamino]methyl-(4-phenylbutyl)phosphinic acid
CID 88694251
[2-cyclohexyl-2-(phenylmethoxycarbonylamino)acetyl] (2S)-pyrrolidine-2-carboxylate
CID 135315135
[(3-amino-2-oxo-4-phenylbutyl)-methylcarbamoyl] (2S)-pyrrolidine-2-carboxylate
CID 88683377
[2-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-carbonyl] (2R)-pyrrolidine-2-carboxylate
CID 88676033
2-(benzylsulfanylmethylsulfanyl)propanoyl (2S)-pyrrolidine-2-carboxylate
CID 88796054
2-phenoxyethyl pyrrolidine-2-carboxylate
CID 61302272
(2-methylphenyl)methyl pyrrolidine-2-carboxylate
CID 82114190
(2S)-4-phenyl-2-(piperidine-2-carbonylamino)butanoic acid
CID 104983399

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid?
The IUPAC name of (1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid (CID 88698151) is (1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid.
What is the SMILES notation for (1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid?
The canonical SMILES for (1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid is NC(CCc1ccccc1)P(=O)(O)CC(=O)OC(=O)[C@@H]1CCCN1.
What is the InChIKey of (1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid?
The InChIKey is ZACDGFVMWXEQBS-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H23N2O5P/c17-14(9-8-12-5-2-1-3-6-12)24(21,22)11-15(19)23-16(20)13-7-4-10-18-13/h1-3,5-6,13-14,18H,4,7-11,17H2,(H,21,22)/t13-,14?/m0/s1.
What are the key properties of (1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid?
(1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid has a molecular weight of 354.34 g/mol, XLogP of 1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-phenylpropyl)-[2-oxo-2-[(2S)-pyrrolidine-2-carbonyl]oxyethyl]phosphinic acid is sourced from PubChem (CID 88698151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).