(2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid

C5H9NO4 — CID 87241640

IUPAC(2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid
SMILESCN[C@](C=O)(OC)C(=O)O
InChIInChI=1S/C5H9NO4/c1-6-5(3-7,10-2)4(8)9/h3,6H,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyYNRUQLUVGDBQKN-RXMQYKEDSA-N
MW147.13 g/mol
LogP-1.17
Rot. Bonds4

About (2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid

(2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid (PubChem CID 87241640) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is (2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid.

Molecular Properties

Compound Name(2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid
PubChem CID87241640
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name(2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid
SMILESCN[C@](C=O)(OC)C(=O)O
InChIInChI=1S/C5H9NO4/c1-6-5(3-7,10-2)4(8)9/h3,6H,1-2H3,(H,8,9)/t5-/m1/s1
InChIKeyYNRUQLUVGDBQKN-RXMQYKEDSA-N
XLogP-1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-2-methoxy-2-(methylamino)acetic acid
CID 154443929
methoxymethanetricarboxylic acid
CID 18424768
methyl (2,2,4-trimethyl-1-oxopentan-3-yl) carbonate
CID 57118798
(2R)-2-amino-2-formyl-4-methoxy-4-oxobutanoic acid
CID 57247380
N-methoxymethanamine;2,2,2-trifluoroacetic acid
CID 86135706
ethane;2-(methylamino)acetic acid;methyl formate
CID 144537769
(2S,3R)-2-bromo-3-hydroxy-2,3-dimethyl-4-oxobutanoic acid
CID 101102044
bis(2-(2-hydroxyethylamino)ethanol);methoxymethanetricarboxylic acid
CID 173435431
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
(Z)-2,3-dimethoxybut-2-enedial
CID 89174688
carbonic acid;N-methylformamide
CID 159780835
2-methoxy-2-methylbut-3-enoic acid
CID 164724816

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid?
The IUPAC name of (2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid (CID 87241640) is (2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid.
What is the SMILES notation for (2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid?
The canonical SMILES for (2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid is CN[C@](C=O)(OC)C(=O)O.
What is the InChIKey of (2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid?
The InChIKey is YNRUQLUVGDBQKN-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H9NO4/c1-6-5(3-7,10-2)4(8)9/h3,6H,1-2H3,(H,8,9)/t5-/m1/s1.
What are the key properties of (2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid?
(2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid has a molecular weight of 147.13 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methoxy-2-(methylamino)-3-oxopropanoic acid is sourced from PubChem (CID 87241640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).