5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid

C20H21NO6 — CID 131859948

IUPAC5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CC(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO6/c22-18(23)11-17(12-19(24)26-13-15-7-3-1-4-8-15)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,22,23)
InChIKeyZRFLQGYWVYGXNY-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.89
Rot. Bonds9

About 5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid

5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid (PubChem CID 131859948) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid
PubChem CID131859948
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid
SMILESO=C(O)CC(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C20H21NO6/c22-18(23)11-17(12-19(24)26-13-15-7-3-1-4-8-15)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,22,23)
InChIKeyZRFLQGYWVYGXNY-UHFFFAOYSA-N
XLogP2.89
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-5-oxo-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 152765825
5-hydroxy-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 129219869
(3S)-5-methyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 11265942
(3S)-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 102254929
[(2R)-3-carboxy-2-(phenylmethoxycarbonylamino)propyl]-trimethylazanium
CID 13393135
(3S)-3,7-bis(phenylmethoxycarbonylamino)heptanoic acid
CID 11418942
6-[(2-methylpropan-2-yl)oxy]-6-oxo-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 130469519
4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoate
CID 53448599
methyl (3R)-5-methylsulfanyl-3-(phenylmethoxycarbonylamino)pentanoate
CID 138979493
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
CID 10873729
dibenzyl (2R)-2-[[(2S)-4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanedioate
CID 99653681
benzyl N-[1-(benzylamino)-3-hydroxypropan-2-yl]carbamate
CID 10380925

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid (CID 131859948) is 5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid is O=C(O)CC(CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of 5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
The InChIKey is ZRFLQGYWVYGXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c22-18(23)11-17(12-19(24)26-13-15-7-3-1-4-8-15)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,22,23).
What are the key properties of 5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid?
5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid has a molecular weight of 371.39 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-phenylmethoxy-3-(phenylmethoxycarbonylamino)pentanoic acid is sourced from PubChem (CID 131859948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).