2-(aminomethoxy)butanedioic acid

C5H9NO5 — CID 174248592

IUPAC2-(aminomethoxy)butanedioic acid
SMILESNCOC(CC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO5/c6-2-11-3(5(9)10)1-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyMDBCXXJHYWKJBP-UHFFFAOYSA-N
MW163.13 g/mol
LogP-1.15
Rot. Bonds5

About 2-(aminomethoxy)butanedioic acid

2-(aminomethoxy)butanedioic acid (PubChem CID 174248592) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is 2-(aminomethoxy)butanedioic acid.

Molecular Properties

Compound Name2-(aminomethoxy)butanedioic acid
PubChem CID174248592
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name2-(aminomethoxy)butanedioic acid
SMILESNCOC(CC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO5/c6-2-11-3(5(9)10)1-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKeyMDBCXXJHYWKJBP-UHFFFAOYSA-N
XLogP-1.15
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 159903683
CID 159903683
(2R)-2-ethoxybutanedioic acid
CID 101245963
trisodium;2-(carboxymethoxy)butanedioic acid;hydride
CID 173014091
2-(2-deuterioethoxy)butanedioic acid
CID 175726030
2-(carboxymethoxy)butanedioic acid;tris(dodecan-1-amine)
CID 172726861
2-(2,2-diethoxyethoxy)butanedioic acid
CID 150684486
2-[2-[2-(1,2-dicarboxyethoxy)ethyl-methylamino]ethoxy]butanedioic acid
CID 18506229
2-nonadecoxybutanedioic acid
CID 122611322
2-ethoxybutanedioic acid;propane-1,2-diol
CID 87565430
2-[bis[2-(1,2-dicarboxyethoxy)ethyl]amino]butanedioic acid
CID 10994081
2-acetyloxybutanedioic acid;ethane
CID 90962940
2-ethenoxybutanedioic acid
CID 139665249

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethoxy)butanedioic acid?
The IUPAC name of 2-(aminomethoxy)butanedioic acid (CID 174248592) is 2-(aminomethoxy)butanedioic acid.
What is the SMILES notation for 2-(aminomethoxy)butanedioic acid?
The canonical SMILES for 2-(aminomethoxy)butanedioic acid is NCOC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(aminomethoxy)butanedioic acid?
The InChIKey is MDBCXXJHYWKJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c6-2-11-3(5(9)10)1-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10).
What are the key properties of 2-(aminomethoxy)butanedioic acid?
2-(aminomethoxy)butanedioic acid has a molecular weight of 163.13 g/mol, XLogP of -1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethoxy)butanedioic acid is sourced from PubChem (CID 174248592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).