(2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid

C7H12N2O6 — CID 54566164

IUPAC(2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid
SMILESO=C(O)CC[C@H](NNCC(=O)O)C(=O)O
InChIInChI=1S/C7H12N2O6/c10-5(11)2-1-4(7(14)15)9-8-3-6(12)13/h4,8-9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-/m0/s1
InChIKeyZTYYPTCJWMKVBS-BYPYZUCNSA-N
MW220.18 g/mol
LogP-1.52
Rot. Bonds8

About (2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid

(2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid (PubChem CID 54566164) has the molecular formula C7H12N2O6 and a molecular weight of 220.18 g/mol. Its IUPAC name is (2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid
PubChem CID54566164
Molecular FormulaC7H12N2O6
Molecular Weight220.18 g/mol
Exact Mass220.07
IUPAC Name(2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid
SMILESO=C(O)CC[C@H](NNCC(=O)O)C(=O)O
InChIInChI=1S/C7H12N2O6/c10-5(11)2-1-4(7(14)15)9-8-3-6(12)13/h4,8-9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-/m0/s1
InChIKeyZTYYPTCJWMKVBS-BYPYZUCNSA-N
XLogP-1.52
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-1.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

azane;2-(carboxymethylamino)pentanedioic acid;iron
CID 174849848
(2S)-2-(bromoamino)pentanedioic acid
CID 54027690
(2S)-2-[2-[(1R)-1-carboxy-2-sulfanylethyl]hydrazinyl]pentanedioic acid
CID 54314797
(2S)-2-(carbamoylamino)pentanedioic acid;zinc
CID 174598695
(2S)-2-[2-(3-carboxypropyl)hydrazinyl]hexanoic acid
CID 18638457
(2R)-2-acetamidopentanedioic acid
CID 161394708
(2S)-2-(carbamoylamino)pentanedioic acid;copper
CID 159494539
2-(propanoylamino)pentanedioic acid
CID 10436353
(2S)-2-[2-(carboxymethylamino)hydrazinyl]-3-hydroxypropanoic acid
CID 87754486
(2S)-2-(carbamoylamino)pentanedioic acid;hydrate
CID 141207509
(2S)-2-[[6-[[(1S)-1,3-dicarboxypropyl]amino]-6-oxohexanoyl]amino]pentanedioic acid
CID 100780583
2-(1,1-dihydroxyethylamino)pentanedioic acid
CID 87961952

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid?
The IUPAC name of (2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid (CID 54566164) is (2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid.
What is the SMILES notation for (2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid?
The canonical SMILES for (2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid is O=C(O)CC[C@H](NNCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid?
The InChIKey is ZTYYPTCJWMKVBS-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H12N2O6/c10-5(11)2-1-4(7(14)15)9-8-3-6(12)13/h4,8-9H,1-3H2,(H,10,11)(H,12,13)(H,14,15)/t4-/m0/s1.
What are the key properties of (2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid?
(2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid has a molecular weight of 220.18 g/mol, XLogP of -1.52, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(carboxymethyl)hydrazinyl]pentanedioic acid is sourced from PubChem (CID 54566164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).