2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one

C19H23N2O4P — CID 19431376

IUPAC2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H23N2O4P/c1-15(20)19(22)21-14-8-13-18(21)26(23,24-16-9-4-2-5-10-16)25-17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14,20H2,1H3
InChIKeyBLSRGJPGRJBHQK-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.63
Rot. Bonds6

About 2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one

2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one (PubChem CID 19431376) has the molecular formula C19H23N2O4P and a molecular weight of 374.38 g/mol. Its IUPAC name is 2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one
PubChem CID19431376
Molecular FormulaC19H23N2O4P
Molecular Weight374.38 g/mol
Exact Mass374.14
IUPAC Name2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C19H23N2O4P/c1-15(20)19(22)21-14-8-13-18(21)26(23,24-16-9-4-2-5-10-16)25-17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14,20H2,1H3
InChIKeyBLSRGJPGRJBHQK-UHFFFAOYSA-N
XLogP3.63
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)-3-methylpentan-1-one
CID 85115600
(3S)-3-amino-4-[(2R)-2-diphenoxyphosphorylpyrrolidin-1-yl]-4-oxobutanamide
CID 11395954
(2S)-2,6-diamino-1-(2-diphenoxyphosphorylpiperidin-1-yl)hexan-1-one
CID 10052311
benzyl N-[(2S)-1-[2-bis(4-chlorophenoxy)phosphorylpiperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 10438404
(2S)-2-[[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]-hydroxyphosphoryl]methyl]-3-phenylpropanoic acid
CID 24827308
benzyl (2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carboxylate
CID 13034409
benzyl N-[1-oxo-1-[2-[phenoxy(phenylsulfanyl)phosphoryl]pyrrolidin-1-yl]propan-2-yl]carbamate
CID 142064763
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
2-amino-1-(2-cyclopropylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 130978633
(2R)-2-amino-1-[(2S)-2-[(2R)-2-hydroxy-2-phenylethyl]pyrrolidin-1-yl]propan-1-one
CID 125118441
(2S)-2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119288459
(2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 124568245

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one (CID 19431376) is 2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one is CC(N)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one?
The InChIKey is BLSRGJPGRJBHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N2O4P/c1-15(20)19(22)21-14-8-13-18(21)26(23,24-16-9-4-2-5-10-16)25-17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14,20H2,1H3.
What are the key properties of 2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one?
2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one has a molecular weight of 374.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 19431376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).