(2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid

C9H16N4O7 — CID 57264737

IUPAC(2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)NNC(=O)OC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H16N4O7/c10-4(7(15)16)1-2-6(14)12-13-9(19)20-3-5(11)8(17)18/h4-5H,1-3,10-11H2,(H,12,14)(H,13,19)(H,15,16)(H,17,18)/t4-,5-/m0/s1
InChIKeyGQYJJAZLUHOOEI-WHFBIAKZSA-N
MW292.25 g/mol
LogP-2.65
Rot. Bonds7

About (2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid

(2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid (PubChem CID 57264737) has the molecular formula C9H16N4O7 and a molecular weight of 292.25 g/mol. Its IUPAC name is (2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid
PubChem CID57264737
Molecular FormulaC9H16N4O7
Molecular Weight292.25 g/mol
Exact Mass292.10
IUPAC Name(2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid
SMILESN[C@@H](CCC(=O)NNC(=O)OC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C9H16N4O7/c10-4(7(15)16)1-2-6(14)12-13-9(19)20-3-5(11)8(17)18/h4-5H,1-3,10-11H2,(H,12,14)(H,13,19)(H,15,16)(H,17,18)/t4-,5-/m0/s1
InChIKeyGQYJJAZLUHOOEI-WHFBIAKZSA-N
XLogP-2.65
TPSA194.07 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.25
LogP ≤ 5-2.65
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid (CID 57264737) is (2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid is N[C@@H](CCC(=O)NNC(=O)OC[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid?
The InChIKey is GQYJJAZLUHOOEI-WHFBIAKZSA-N. The full InChI is InChI=1S/C9H16N4O7/c10-4(7(15)16)1-2-6(14)12-13-9(19)20-3-5(11)8(17)18/h4-5H,1-3,10-11H2,(H,12,14)(H,13,19)(H,15,16)(H,17,18)/t4-,5-/m0/s1.
What are the key properties of (2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid?
(2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid has a molecular weight of 292.25 g/mol, XLogP of -2.65, 7 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[2-[(2S)-2-amino-2-carboxyethoxy]carbonylhydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 57264737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).