(2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid

C16H24N2O7 — CID 54546495

IUPAC(2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid
SMILESCOC[C@H](NN(CC(OC)OC)C(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O7/c1-22-11-13(15(19)20)17-18(9-14(23-2)24-3)16(21)25-10-12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyZGWRWRIENZFWRS-ZDUSSCGKSA-N
MW356.38 g/mol
LogP0.85
Rot. Bonds11

About (2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid

(2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid (PubChem CID 54546495) has the molecular formula C16H24N2O7 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid
PubChem CID54546495
Molecular FormulaC16H24N2O7
Molecular Weight356.38 g/mol
Exact Mass356.16
IUPAC Name(2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid
SMILESCOC[C@H](NN(CC(OC)OC)C(=O)OCc1ccccc1)C(=O)O
InChIInChI=1S/C16H24N2O7/c1-22-11-13(15(19)20)17-18(9-14(23-2)24-3)16(21)25-10-12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3,(H,19,20)/t13-/m0/s1
InChIKeyZGWRWRIENZFWRS-ZDUSSCGKSA-N
XLogP0.85
TPSA106.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid?
The IUPAC name of (2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid (CID 54546495) is (2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid.
What is the SMILES notation for (2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid?
The canonical SMILES for (2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid is COC[C@H](NN(CC(OC)OC)C(=O)OCc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid?
The InChIKey is ZGWRWRIENZFWRS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O7/c1-22-11-13(15(19)20)17-18(9-14(23-2)24-3)16(21)25-10-12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid?
(2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid has a molecular weight of 356.38 g/mol, XLogP of 0.85, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2,2-dimethoxyethyl)-2-phenylmethoxycarbonylhydrazinyl]-3-methoxypropanoic acid is sourced from PubChem (CID 54546495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).