(2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid

C8H15N3O5 — CID 87805469

IUPAC(2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid
SMILESNCCC(=O)NN[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C8H15N3O5/c9-4-3-6(12)11-10-5(8(15)16)1-2-7(13)14/h5,10H,1-4,9H2,(H,11,12)(H,13,14)(H,15,16)/t5-/m0/s1
InChIKeyGYRNDJOCCTWZTJ-YFKPBYRVSA-N
MW233.22 g/mol
LogP-1.73
Rot. Bonds8

About (2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid

(2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid (PubChem CID 87805469) has the molecular formula C8H15N3O5 and a molecular weight of 233.22 g/mol. Its IUPAC name is (2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid
PubChem CID87805469
Molecular FormulaC8H15N3O5
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name(2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid
SMILESNCCC(=O)NN[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C8H15N3O5/c9-4-3-6(12)11-10-5(8(15)16)1-2-7(13)14/h5,10H,1-4,9H2,(H,11,12)(H,13,14)(H,15,16)/t5-/m0/s1
InChIKeyGYRNDJOCCTWZTJ-YFKPBYRVSA-N
XLogP-1.73
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-1.73
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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid?
The IUPAC name of (2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid (CID 87805469) is (2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid.
What is the SMILES notation for (2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid?
The canonical SMILES for (2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid is NCCC(=O)NN[C@@H](CCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid?
The InChIKey is GYRNDJOCCTWZTJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H15N3O5/c9-4-3-6(12)11-10-5(8(15)16)1-2-7(13)14/h5,10H,1-4,9H2,(H,11,12)(H,13,14)(H,15,16)/t5-/m0/s1.
What are the key properties of (2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid?
(2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid has a molecular weight of 233.22 g/mol, XLogP of -1.73, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(3-aminopropanoyl)hydrazinyl]pentanedioic acid is sourced from PubChem (CID 87805469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).