(2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid

C6H10N4O3 — CID 124638542

IUPAC(2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
SMILESNN[C@](O)(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H10N4O3/c7-10-6(13,5(11)12)1-4-2-8-3-9-4/h2-3,10,13H,1,7H2,(H,8,9)(H,11,12)/t6-/m0/s1
InChIKeyLJSVECBHNIUJKU-LURJTMIESA-N
MW186.17 g/mol
LogP-1.81
Rot. Bonds4

About (2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid

(2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid (PubChem CID 124638542) has the molecular formula C6H10N4O3 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
PubChem CID124638542
Molecular FormulaC6H10N4O3
Molecular Weight186.17 g/mol
Exact Mass186.08
IUPAC Name(2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid
SMILESNN[C@](O)(Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C6H10N4O3/c7-10-6(13,5(11)12)1-4-2-8-3-9-4/h2-3,10,13H,1,7H2,(H,8,9)(H,11,12)/t6-/m0/s1
InChIKeyLJSVECBHNIUJKU-LURJTMIESA-N
XLogP-1.81
TPSA124.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 101407841
CID 101407841
(2R)-2-amino-2-(1H-imidazol-5-ylmethyl)-3-methylbutanoic acid;hydrochloride
CID 90679615
2-(dimethylamino)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid
CID 19918803
2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
4-(1H-imidazol-5-yl)-3-methyl-3-(methylamino)butan-2-one
CID 59703175
3-(1H-imidazol-5-ylmethylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 82821309
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde
CID 67449717
[1-(1H-imidazol-5-yl)-2-methyl-3-oxobutan-2-yl]azanium
CID 23403341
(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide
CID 18651854
2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrate;hydrochloride
CID 517335
(2S)-2-[(2-hydroxy-2-methylpropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 178181329
(2R)-2-(dimethylamino)-2-(1H-imidazol-5-ylmethyl)-3-oxopent-4-enoic acid
CID 25206846

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid?
The IUPAC name of (2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid (CID 124638542) is (2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for (2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for (2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid is NN[C@](O)(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid?
The InChIKey is LJSVECBHNIUJKU-LURJTMIESA-N. The full InChI is InChI=1S/C6H10N4O3/c7-10-6(13,5(11)12)1-4-2-8-3-9-4/h2-3,10,13H,1,7H2,(H,8,9)(H,11,12)/t6-/m0/s1.
What are the key properties of (2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid?
(2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid has a molecular weight of 186.17 g/mol, XLogP of -1.81, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydrazinyl-2-hydroxy-3-(1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 124638542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).