propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate

C22H30N3O6P — CID 142505333

IUPACpropan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
SMILESCC(C)OC(=O)CNP(OCC1CCC(N2C=CCC(C(N)=O)=C2)O1)Oc1ccccc1
InChIInChI=1S/C22H30N3O6P/c1-16(2)29-21(26)13-24-32(31-18-8-4-3-5-9-18)28-15-19-10-11-20(30-19)25-12-6-7-17(14-25)22(23)27/h3-6,8-9,12,14,16,19-20,24H,7,10-11,13,15H2,1-2H3,(H2,23,27)
InChIKeyRQKBXDKNENADND-UHFFFAOYSA-N
MW463.47 g/mol
LogP2.94
Rot. Bonds11

About propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate

propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate (PubChem CID 142505333) has the molecular formula C22H30N3O6P and a molecular weight of 463.47 g/mol. Its IUPAC name is propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
PubChem CID142505333
Molecular FormulaC22H30N3O6P
Molecular Weight463.47 g/mol
Exact Mass463.19
IUPAC Namepropan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
SMILESCC(C)OC(=O)CNP(OCC1CCC(N2C=CCC(C(N)=O)=C2)O1)Oc1ccccc1
InChIInChI=1S/C22H30N3O6P/c1-16(2)29-21(26)13-24-32(31-18-8-4-3-5-9-18)28-15-19-10-11-20(30-19)25-12-6-7-17(14-25)22(23)27/h3-6,8-9,12,14,16,19-20,24H,7,10-11,13,15H2,1-2H3,(H2,23,27)
InChIKeyRQKBXDKNENADND-UHFFFAOYSA-N
XLogP2.94
TPSA112.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphanyl]amino]propanoate
CID 145307280
[(2S,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl butanoate
CID 144971544
[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl pentanoate
CID 145371946
[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methyl 3-hydroxy-4-oxobutanoate;methanol
CID 142505319
2-methylpropanoic acid;propan-2-yl 2-[[[5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 144610358
propan-2-yl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-3-fluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 144900507
propan-2-yl 2-[[[5-[[[(Z)-3-formamido-3-iminoprop-1-enyl]-methylamino]methyl]oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 174078807
1-[(2R,5S)-5-[(2-aminoacetyl)oxymethyl]oxolan-2-yl]-4H-pyridine-3-carboxylic acid
CID 166537523
4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one
CID 145155260
methyl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]-3-methylbutanoate;propane-2,2-diol
CID 145155283
propan-2-yl 2-[[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-yl]methoxy-naphthalen-2-yloxyphosphanyl]amino]acetate
CID 171568455
propan-2-yl 2-[[[(1S)-1-[(4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-methyloxolan-2-yl]ethoxy]-phenoxyphosphanyl]amino]acetate
CID 134425292

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate (CID 142505333) is propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate is CC(C)OC(=O)CNP(OCC1CCC(N2C=CCC(C(N)=O)=C2)O1)Oc1ccccc1.
What is the InChIKey of propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
The InChIKey is RQKBXDKNENADND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N3O6P/c1-16(2)29-21(26)13-24-32(31-18-8-4-3-5-9-18)28-15-19-10-11-20(30-19)25-12-6-7-17(14-25)22(23)27/h3-6,8-9,12,14,16,19-20,24H,7,10-11,13,15H2,1-2H3,(H2,23,27).
What are the key properties of propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate?
propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate has a molecular weight of 463.47 g/mol, XLogP of 2.94, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[[5-(3-carbamoyl-4H-pyridin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate is sourced from PubChem (CID 142505333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).