(2S)-2,3-bis(hydroxyamino)propanamide

C3H9N3O3 — CID 142663398

IUPAC(2S)-2,3-bis(hydroxyamino)propanamide
SMILESNC(=O)[C@H](CNO)NO
InChIInChI=1S/C3H9N3O3/c4-3(7)2(6-9)1-5-8/h2,5-6,8-9H,1H2,(H2,4,7)/t2-/m0/s1
InChIKeyLPDLAECTMGXAFL-REOHCLBHSA-N
MW135.12 g/mol
LogP-2.20
Rot. Bonds4

About (2S)-2,3-bis(hydroxyamino)propanamide

(2S)-2,3-bis(hydroxyamino)propanamide (PubChem CID 142663398) has the molecular formula C3H9N3O3 and a molecular weight of 135.12 g/mol. Its IUPAC name is (2S)-2,3-bis(hydroxyamino)propanamide.

Molecular Properties

Compound Name(2S)-2,3-bis(hydroxyamino)propanamide
PubChem CID142663398
Molecular FormulaC3H9N3O3
Molecular Weight135.12 g/mol
Exact Mass135.06
IUPAC Name(2S)-2,3-bis(hydroxyamino)propanamide
SMILESNC(=O)[C@H](CNO)NO
InChIInChI=1S/C3H9N3O3/c4-3(7)2(6-9)1-5-8/h2,5-6,8-9H,1H2,(H2,4,7)/t2-/m0/s1
InChIKeyLPDLAECTMGXAFL-REOHCLBHSA-N
XLogP-2.20
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-2.20
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)-2,3-bis(hydroxyamino)propanamide?
The IUPAC name of (2S)-2,3-bis(hydroxyamino)propanamide (CID 142663398) is (2S)-2,3-bis(hydroxyamino)propanamide.
What is the SMILES notation for (2S)-2,3-bis(hydroxyamino)propanamide?
The canonical SMILES for (2S)-2,3-bis(hydroxyamino)propanamide is NC(=O)[C@H](CNO)NO.
What is the InChIKey of (2S)-2,3-bis(hydroxyamino)propanamide?
The InChIKey is LPDLAECTMGXAFL-REOHCLBHSA-N. The full InChI is InChI=1S/C3H9N3O3/c4-3(7)2(6-9)1-5-8/h2,5-6,8-9H,1H2,(H2,4,7)/t2-/m0/s1.
What are the key properties of (2S)-2,3-bis(hydroxyamino)propanamide?
(2S)-2,3-bis(hydroxyamino)propanamide has a molecular weight of 135.12 g/mol, XLogP of -2.20, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-bis(hydroxyamino)propanamide is sourced from PubChem (CID 142663398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).