(2S)-2-amino-3-hydrazinylbutanedioic acid

C4H9N3O4 — CID 54529331

IUPAC(2S)-2-amino-3-hydrazinylbutanedioic acid
SMILESNNC(C(=O)O)[C@H](N)C(=O)O
InChIInChI=1S/C4H9N3O4/c5-1(3(8)9)2(7-6)4(10)11/h1-2,7H,5-6H2,(H,8,9)(H,10,11)/t1-,2?/m0/s1
InChIKeyYVJSHHYGXPXSSJ-PIKHSQJKSA-N
MW163.13 g/mol
LogP-2.69
Rot. Bonds4

About (2S)-2-amino-3-hydrazinylbutanedioic acid

(2S)-2-amino-3-hydrazinylbutanedioic acid (PubChem CID 54529331) has the molecular formula C4H9N3O4 and a molecular weight of 163.13 g/mol. Its IUPAC name is (2S)-2-amino-3-hydrazinylbutanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-hydrazinylbutanedioic acid
PubChem CID54529331
Molecular FormulaC4H9N3O4
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name(2S)-2-amino-3-hydrazinylbutanedioic acid
SMILESNNC(C(=O)O)[C@H](N)C(=O)O
InChIInChI=1S/C4H9N3O4/c5-1(3(8)9)2(7-6)4(10)11/h1-2,7H,5-6H2,(H,8,9)(H,10,11)/t1-,2?/m0/s1
InChIKeyYVJSHHYGXPXSSJ-PIKHSQJKSA-N
XLogP-2.69
TPSA138.67 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-2.69
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-hydrazinylbutanedioic acid
CID 74036786
(2S,3S)-2-hydrazinyl-3-propan-2-ylbutanedioic acid
CID 15275461
(2S,3R)-2-amino-3-hydroxybutanedioic acid;hydrochloride
CID 91928385
(2S)-2-amino-3-[(4-fluorophenyl)sulfonylamino]butanedioic acid
CID 134157558
(2S)-2-amino-3-[(4-tert-butylphenyl)sulfonylamino]butanedioic acid
CID 134135313
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
(2S)-2-amino-3-[(2-methylphenyl)sulfonylamino]butanedioic acid
CID 134149212
2-hydrazinyl-3-phenylbutanoic acid
CID 55280832
potassium;sodium;2-amino-3-hydroxybutanoic acid;hydride
CID 175449231
(2R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 6997293
(2R,3R)-2-amino-3-chloro-3-hydroxypropanoic acid
CID 174951992
2-amino-3-methylbutanoic acid;vanadium
CID 175123177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-hydrazinylbutanedioic acid?
The IUPAC name of (2S)-2-amino-3-hydrazinylbutanedioic acid (CID 54529331) is (2S)-2-amino-3-hydrazinylbutanedioic acid.
What is the SMILES notation for (2S)-2-amino-3-hydrazinylbutanedioic acid?
The canonical SMILES for (2S)-2-amino-3-hydrazinylbutanedioic acid is NNC(C(=O)O)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-hydrazinylbutanedioic acid?
The InChIKey is YVJSHHYGXPXSSJ-PIKHSQJKSA-N. The full InChI is InChI=1S/C4H9N3O4/c5-1(3(8)9)2(7-6)4(10)11/h1-2,7H,5-6H2,(H,8,9)(H,10,11)/t1-,2?/m0/s1.
What are the key properties of (2S)-2-amino-3-hydrazinylbutanedioic acid?
(2S)-2-amino-3-hydrazinylbutanedioic acid has a molecular weight of 163.13 g/mol, XLogP of -2.69, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-hydrazinylbutanedioic acid is sourced from PubChem (CID 54529331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).