(4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate

C12H15NO4 — CID 7019727

IUPAC(4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate
SMILES[NH3+][C@H](CCC(=O)[O-])C(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m1/s1
InChIKeyHFZKKJHBHCZXTQ-SNVBAGLBSA-N
MW237.25 g/mol
LogP-1.13
Rot. Bonds6

About (4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate

(4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate (PubChem CID 7019727) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is (4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate.

Molecular Properties

Compound Name(4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate
PubChem CID7019727
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate
SMILES[NH3+][C@H](CCC(=O)[O-])C(=O)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m1/s1
InChIKeyHFZKKJHBHCZXTQ-SNVBAGLBSA-N
XLogP-1.13
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-amino-5-oxo-5-phenylmethoxypentanoate
CID 53249735
[(2R)-1-oxo-1-phenylmethoxypentan-2-yl]azanium
CID 7350020
silver 4-oxo-4-phenylmethoxybutanoate
CID 22480517
3-hydroxy-4-oxo-4-phenylmethoxybutanoate
CID 19803271
[3-(4-hydroxyphenyl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium
CID 4052014
(3S)-3-amino-4-oxo-4-phenylmethoxybutanoate
CID 51722874
(4S)-4-amino-5-oxo-5-phenylmethoxypentanoic acid
CID 7009632
tetrabenzyl propane-1,1,3,3-tetracarboxylate
CID 139256040
benzyl 2-amino-2-hydroxyacetate
CID 123342440
[(2S)-3-(1H-indol-3-yl)-1-oxo-1-phenylmethoxypropan-2-yl]azanium chloride
CID 10980445
(3,3-dimethyl-1-oxo-1-phenylmethoxybutan-2-yl)azanium chloride
CID 85291295
benzyl (2S)-2-aminopropanoate
CID 726858

Frequently Asked Questions

What is the IUPAC name of (4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate?
The IUPAC name of (4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate (CID 7019727) is (4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate.
What is the SMILES notation for (4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate?
The canonical SMILES for (4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate is [NH3+][C@H](CCC(=O)[O-])C(=O)OCc1ccccc1.
What is the InChIKey of (4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate?
The InChIKey is HFZKKJHBHCZXTQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO4/c13-10(6-7-11(14)15)12(16)17-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate?
(4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate has a molecular weight of 237.25 g/mol, XLogP of -1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-azaniumyl-5-oxo-5-phenylmethoxypentanoate is sourced from PubChem (CID 7019727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).