(2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid

C8H15N3O5 — CID 90978676

IUPAC(2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid
SMILESC[C@H](N[15NH][C@@H](CCC(N)=O)C(=O)O)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-4(7(13)14)10-11-5(8(15)16)2-3-6(9)12/h4-5,10-11H,2-3H2,1H3,(H2,9,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1/i11+1
InChIKeyXOGWHPRUGBLIET-RJXSLYIWSA-N
MW234.22 g/mol
LogP-1.73
Rot. Bonds8

About (2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid

(2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid (PubChem CID 90978676) has the molecular formula C8H15N3O5 and a molecular weight of 234.22 g/mol. Its IUPAC name is (2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid
PubChem CID90978676
Molecular FormulaC8H15N3O5
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name(2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid
SMILESC[C@H](N[15NH][C@@H](CCC(N)=O)C(=O)O)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-4(7(13)14)10-11-5(8(15)16)2-3-6(9)12/h4-5,10-11H,2-3H2,1H3,(H2,9,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1/i11+1
InChIKeyXOGWHPRUGBLIET-RJXSLYIWSA-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 ≤ 500234.22
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)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid (CID 90978676) is (2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid is C[C@H](N[15NH][C@@H](CCC(N)=O)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid?
The InChIKey is XOGWHPRUGBLIET-RJXSLYIWSA-N. The full InChI is InChI=1S/C8H15N3O5/c1-4(7(13)14)10-11-5(8(15)16)2-3-6(9)12/h4-5,10-11H,2-3H2,1H3,(H2,9,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1/i11+1.
What are the key properties of (2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid?
(2S)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid has a molecular weight of 234.22 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)-5-amino-2-[2-[(1S)-1-carboxyethyl](15N)hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 90978676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).