(4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide

C20H24N3O6P — CID 87891661

IUPAC(4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide
SMILESNC(=O)CC[C@H](N)C(=O)N1OCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H24N3O6P/c21-17(11-12-18(22)24)20(25)23-19(13-14-27-23)30(26,28-15-7-3-1-4-8-15)29-16-9-5-2-6-10-16/h1-10,17,19H,11-14,21H2,(H2,22,24)/t17-,19?/m0/s1
InChIKeyXJAVGYZVRPMTGF-KKFHFHRHSA-N
MW433.40 g/mol
LogP2.42
Rot. Bonds9

About (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide

(4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide (PubChem CID 87891661) has the molecular formula C20H24N3O6P and a molecular weight of 433.40 g/mol. Its IUPAC name is (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide.

Molecular Properties

Compound Name(4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide
PubChem CID87891661
Molecular FormulaC20H24N3O6P
Molecular Weight433.40 g/mol
Exact Mass433.14
IUPAC Name(4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide
SMILESNC(=O)CC[C@H](N)C(=O)N1OCCC1P(=O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H24N3O6P/c21-17(11-12-18(22)24)20(25)23-19(13-14-27-23)30(26,28-15-7-3-1-4-8-15)29-16-9-5-2-6-10-16/h1-10,17,19H,11-14,21H2,(H2,22,24)/t17-,19?/m0/s1
InChIKeyXJAVGYZVRPMTGF-KKFHFHRHSA-N
XLogP2.42
TPSA134.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-amino-5-(4-diphenoxyphosphoryl-3-azabicyclo[4.1.0]heptan-3-yl)-5-oxopentanamide
CID 87891244
(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
2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)propan-1-one
CID 19431376
2-amino-1-(2-diphenoxyphosphorylpyrrolidin-1-yl)-3-methylpentan-1-one
CID 85115600
benzyl (2S)-3-[(2S)-2,5-diamino-5-oxopentanoyl]-4-oxo-1,3-oxazetidine-2-carboxylate
CID 67174945
2-amino-4-diphenoxyphosphorylbutanoic acid
CID 23582839
(2S)-1-[(2S)-2,5-diamino-5-oxopentanoyl]pyrrolidine-2-carboxylic acid
CID 11736661
2-[[2-[[1-(2,5-diamino-5-oxopentanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 18482627
(2S)-2-amino-4-methylsulfanyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 61177928
2-amino-5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 81088436
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide?
The IUPAC name of (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide (CID 87891661) is (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide.
What is the SMILES notation for (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide?
The canonical SMILES for (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide is NC(=O)CC[C@H](N)C(=O)N1OCCC1P(=O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide?
The InChIKey is XJAVGYZVRPMTGF-KKFHFHRHSA-N. The full InChI is InChI=1S/C20H24N3O6P/c21-17(11-12-18(22)24)20(25)23-19(13-14-27-23)30(26,28-15-7-3-1-4-8-15)29-16-9-5-2-6-10-16/h1-10,17,19H,11-14,21H2,(H2,22,24)/t17-,19?/m0/s1.
What are the key properties of (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide?
(4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide has a molecular weight of 433.40 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-(3-diphenoxyphosphoryl-1,2-oxazolidin-2-yl)-5-oxopentanamide is sourced from PubChem (CID 87891661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).