2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid

C5H10N2O4 — CID 174849026

IUPAC2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid
SMILESCOCC(N)(C(N)=O)C(=O)O
InChIInChI=1S/C5H10N2O4/c1-11-2-5(7,3(6)8)4(9)10/h2,7H2,1H3,(H2,6,8)(H,9,10)
InChIKeyYOIQTWIHFFAMAY-UHFFFAOYSA-N
MW162.15 g/mol
LogP-2.10
Rot. Bonds4

About 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid

2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid (PubChem CID 174849026) has the molecular formula C5H10N2O4 and a molecular weight of 162.15 g/mol. Its IUPAC name is 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid.

Molecular Properties

Compound Name2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid
PubChem CID174849026
Molecular FormulaC5H10N2O4
Molecular Weight162.15 g/mol
Exact Mass162.06
IUPAC Name2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid
SMILESCOCC(N)(C(N)=O)C(=O)O
InChIInChI=1S/C5H10N2O4/c1-11-2-5(7,3(6)8)4(9)10/h2,7H2,1H3,(H2,6,8)(H,9,10)
InChIKeyYOIQTWIHFFAMAY-UHFFFAOYSA-N
XLogP-2.10
TPSA115.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic 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)-2,3-diamino-2-(hydroxymethyl)-3-oxopropanoic acid
CID 69029304
(2R)-2-amino-2-carbamoyl-4-methylpent-4-enoic acid
CID 62705599
2,3-dihydroxy-2,3-bis(methoxymethyl)butanedioic acid
CID 22399558
2,4-diamino-2-(methoxymethyl)butanoic acid
CID 19800437
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
3-amino-4-methoxy-3-methylbutanoic acid
CID 64666411
methyl (2S)-2,3-diamino-2-benzyl-3-oxopropanoate
CID 134588871
2-tert-butyl-2-(methoxymethyl)propanedioic acid
CID 56990519
3-amino-3-(methoxymethyl)pentanoic acid
CID 64665153
2-amino-2-(2-ethoxyethoxymethyl)propanedioic acid
CID 169225729
2-[[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-[2-carboxy-3-(2-carboxy-3-methoxy-2-methylpropyl)peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxy-2-methylpropyl]peroxymethyl]-3-methoxy-2-methylpropanoic acid
CID 58114775
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid?
The IUPAC name of 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid (CID 174849026) is 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid.
What is the SMILES notation for 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid?
The canonical SMILES for 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid is COCC(N)(C(N)=O)C(=O)O.
What is the InChIKey of 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid?
The InChIKey is YOIQTWIHFFAMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O4/c1-11-2-5(7,3(6)8)4(9)10/h2,7H2,1H3,(H2,6,8)(H,9,10).
What are the key properties of 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid?
2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid has a molecular weight of 162.15 g/mol, XLogP of -2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-2-(methoxymethyl)-3-oxopropanoic acid is sourced from PubChem (CID 174849026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).