(2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid

C7H10N2O4 — CID 87638032

IUPAC(2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid
SMILESN#CCOC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C7H10N2O4/c8-3-4-13-6(10)2-1-5(9)7(11)12/h5H,1-2,4,9H2,(H,11,12)/t5-/m0/s1
InChIKeyFIVKBDJCMCRREI-YFKPBYRVSA-N
MW186.17 g/mol
LogP-0.75
Rot. Bonds5

About (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid

(2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid (PubChem CID 87638032) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid
PubChem CID87638032
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name(2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid
SMILESN#CCOC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C7H10N2O4/c8-3-4-13-6(10)2-1-5(9)7(11)12/h5H,1-2,4,9H2,(H,11,12)/t5-/m0/s1
InChIKeyFIVKBDJCMCRREI-YFKPBYRVSA-N
XLogP-0.75
TPSA113.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid 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

(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
2-aminopentanedioic acid;hexahydrate
CID 173177476
(2S)-2-amino-5-dihydroxysilyloxy-5-oxopentanoic acid
CID 175519244
disodium;(2S)-2-amino-5-[(4S)-4-amino-5-[(4S)-4-amino-4-carboxybutanoyl]oxy-5-oxopentanoyl]oxy-5-oxopentanoic acid;hydride
CID 173377229
(2S)-2-amino-5-(2-hydroxypropanoyloxy)-5-oxopentanoic acid;chromium
CID 174924708
CID 87237505
CID 87237505
2-aminopentanedioic acid;hydrazine;hydrate
CID 174836274
2,5-diamino-5-oxopentanoic acid;dihydrate
CID 174966770
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
sodium;acetonitrile;(2S)-2-aminopentanedioic acid;hydride
CID 175518131

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid (CID 87638032) is (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid is N#CCOC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid?
The InChIKey is FIVKBDJCMCRREI-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H10N2O4/c8-3-4-13-6(10)2-1-5(9)7(11)12/h5H,1-2,4,9H2,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid?
(2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid has a molecular weight of 186.17 g/mol, XLogP of -0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(cyanomethoxy)-5-oxopentanoic acid is sourced from PubChem (CID 87638032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).