2-(carboxymethylamino)propanedioic acid;hydrazine

C5H11N3O6 — CID 158445121

IUPAC2-(carboxymethylamino)propanedioic acid;hydrazine
SMILESNN.O=C(O)CNC(C(=O)O)C(=O)O
InChIInChI=1S/C5H7NO6.H4N2/c7-2(8)1-6-3(4(9)10)5(11)12;1-2/h3,6H,1H2,(H,7,8)(H,9,10)(H,11,12);1-2H2
InChIKeyHDHJULWYDMCDBU-UHFFFAOYSA-N
MW209.16 g/mol
LogP-2.98
Rot. Bonds5

About 2-(carboxymethylamino)propanedioic acid;hydrazine

2-(carboxymethylamino)propanedioic acid;hydrazine (PubChem CID 158445121) has the molecular formula C5H11N3O6 and a molecular weight of 209.16 g/mol. Its IUPAC name is 2-(carboxymethylamino)propanedioic acid;hydrazine.

Molecular Properties

Compound Name2-(carboxymethylamino)propanedioic acid;hydrazine
PubChem CID158445121
Molecular FormulaC5H11N3O6
Molecular Weight209.16 g/mol
Exact Mass209.06
IUPAC Name2-(carboxymethylamino)propanedioic acid;hydrazine
SMILESNN.O=C(O)CNC(C(=O)O)C(=O)O
InChIInChI=1S/C5H7NO6.H4N2/c7-2(8)1-6-3(4(9)10)5(11)12;1-2/h3,6H,1H2,(H,7,8)(H,9,10)(H,11,12);1-2H2
InChIKeyHDHJULWYDMCDBU-UHFFFAOYSA-N
XLogP-2.98
TPSA175.97 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500209.16
LogP ≤ 5-2.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(carboxymethylamino)propanoic acid
CID 2764308
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
2,3-bis(carboxymethylamino)propanoic acid
CID 10922022
3-amino-3-(carboxymethyl)-4-(carboxymethylamino)hexanedioic acid
CID 54516734
azane;2-(carboxymethylamino)pentanedioic acid;iron
CID 174849848
2-(5-aminopentylamino)propanedioic acid
CID 88628628
(2S)-2-(carboxymethylamino)-4-methylpentanoic acid
CID 15691184
2-[1-(diaminomethylideneamino)ethylamino]acetic acid
CID 87120373
2-[(1-amino-3-hydroxybutan-2-yl)amino]acetic acid
CID 87428208
(2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid
CID 141336404
2-[2-[2-[2-(dicarboxymethylamino)ethoxy]ethoxy]ethylamino]propanedioic acid
CID 19853498

Frequently Asked Questions

What is the IUPAC name of 2-(carboxymethylamino)propanedioic acid;hydrazine?
The IUPAC name of 2-(carboxymethylamino)propanedioic acid;hydrazine (CID 158445121) is 2-(carboxymethylamino)propanedioic acid;hydrazine.
What is the SMILES notation for 2-(carboxymethylamino)propanedioic acid;hydrazine?
The canonical SMILES for 2-(carboxymethylamino)propanedioic acid;hydrazine is NN.O=C(O)CNC(C(=O)O)C(=O)O.
What is the InChIKey of 2-(carboxymethylamino)propanedioic acid;hydrazine?
The InChIKey is HDHJULWYDMCDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO6.H4N2/c7-2(8)1-6-3(4(9)10)5(11)12;1-2/h3,6H,1H2,(H,7,8)(H,9,10)(H,11,12);1-2H2.
What are the key properties of 2-(carboxymethylamino)propanedioic acid;hydrazine?
2-(carboxymethylamino)propanedioic acid;hydrazine has a molecular weight of 209.16 g/mol, XLogP of -2.98, 5 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxymethylamino)propanedioic acid;hydrazine is sourced from PubChem (CID 158445121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).