(2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid

C6H9NO5 — CID 57247380

IUPAC(2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@@](N)(C=O)C(=O)O
InChIInChI=1S/C6H9NO5/c1-12-4(9)2-6(7,3-8)5(10)11/h3H,2,7H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyKTOYTAVIMLPNQC-ZCFIWIBFSA-N
MW175.14 g/mol
LogP-1.47
Rot. Bonds4

About (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid

(2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid (PubChem CID 57247380) has the molecular formula C6H9NO5 and a molecular weight of 175.14 g/mol. Its IUPAC name is (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid
PubChem CID57247380
Molecular FormulaC6H9NO5
Molecular Weight175.14 g/mol
Exact Mass175.05
IUPAC Name(2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)C[C@@](N)(C=O)C(=O)O
InChIInChI=1S/C6H9NO5/c1-12-4(9)2-6(7,3-8)5(10)11/h3H,2,7H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyKTOYTAVIMLPNQC-ZCFIWIBFSA-N
XLogP-1.47
TPSA106.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 5-1.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic 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

methyl 3-amino-3-chlorobutanoate
CID 174994558
(2R)-2-amino-2-formylpentanedioic acid
CID 90902003
methyl 3-formyloxy-3-methylbutanoate
CID 22368434
methyl 3,3,5-trimethylhex-4-enoate
CID 22322855
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
methyl 4-amino-3-(4-tert-butylphenyl)-3,4-dimethylpentanoate
CID 66099026
methyl 3-amino-3-(4-methoxyphenyl)butanoate
CID 79848680
methyl 3,3-dimethylpentanoate
CID 3757207
2,2-bis(2-methoxy-2-oxoethyl)hexanedioic acid
CID 19833587
methyl (3S)-3-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 125468078
2-hydroxy-2-(2-methoxy-2-oxoethyl)-6-methylhept-3-enoic acid
CID 141014193
3-methoxycarbonyl-2-(2-methoxy-2-oxoethyl)-2,4-dimethylpentanedioic acid
CID 91333916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid?
The IUPAC name of (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid (CID 57247380) is (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid is COC(=O)C[C@@](N)(C=O)C(=O)O.
What is the InChIKey of (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid?
The InChIKey is KTOYTAVIMLPNQC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H9NO5/c1-12-4(9)2-6(7,3-8)5(10)11/h3H,2,7H2,1H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid?
(2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid has a molecular weight of 175.14 g/mol, XLogP of -1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 57247380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).