(2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid

C5H12N4O3 — CID 150696785

IUPAC(2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid
SMILESNN[C@@H](CCC(N)=NO)C(=O)O
InChIInChI=1S/C5H12N4O3/c6-4(9-12)2-1-3(8-7)5(10)11/h3,8,12H,1-2,7H2,(H2,6,9)(H,10,11)/t3-/m0/s1
InChIKeyJKZYZGPVXPOTJU-VKHMYHEASA-N
MW176.18 g/mol
LogP-1.57
Rot. Bonds5

About (2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid

(2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid (PubChem CID 150696785) has the molecular formula C5H12N4O3 and a molecular weight of 176.18 g/mol. Its IUPAC name is (2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid
PubChem CID150696785
Molecular FormulaC5H12N4O3
Molecular Weight176.18 g/mol
Exact Mass176.09
IUPAC Name(2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid
SMILESNN[C@@H](CCC(N)=NO)C(=O)O
InChIInChI=1S/C5H12N4O3/c6-4(9-12)2-1-3(8-7)5(10)11/h3,8,12H,1-2,7H2,(H2,6,9)(H,10,11)/t3-/m0/s1
InChIKeyJKZYZGPVXPOTJU-VKHMYHEASA-N
XLogP-1.57
TPSA133.96 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-1.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-hydrazinyl-4-hydroxybutanoic acid
CID 150765964
(6-amino-6-hydroxyimino-2,2-dimethylhexan-3-yl)carbamic acid
CID 173464238
2-hydrazinyloctanedioic acid
CID 150661126
(2R)-5-amino-2-(carboxyamino)-5-oxopentanoic acid
CID 150215384
(2S)-4-azido-2-hydrazinylbutanoic acid
CID 89379573
(2S)-2-hydrazinylheptanoic acid
CID 118266927
(2S)-2-(carbamoylamino)pentanedioic acid;zinc
CID 174598695
(2S)-2-(carbamoylamino)pentanedioic acid;copper
CID 159494539
(2S)-2-(carbamoylamino)pentanedioic acid;hydrate
CID 141207509
4-amino-4-hydroxyiminobutanamide
CID 71436462
(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
(4S)-5-amino-2-hydrazinyl-4-methyl-5-oxopentanoic acid
CID 163538883

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid?
The IUPAC name of (2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid (CID 150696785) is (2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid is NN[C@@H](CCC(N)=NO)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid?
The InChIKey is JKZYZGPVXPOTJU-VKHMYHEASA-N. The full InChI is InChI=1S/C5H12N4O3/c6-4(9-12)2-1-3(8-7)5(10)11/h3,8,12H,1-2,7H2,(H2,6,9)(H,10,11)/t3-/m0/s1.
What are the key properties of (2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid?
(2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid has a molecular weight of 176.18 g/mol, XLogP of -1.57, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-hydrazinyl-5-hydroxyiminopentanoic acid is sourced from PubChem (CID 150696785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).