(2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide

C10H20N4O3 — CID 141356278

IUPAC(2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide
SMILESCON=C1CCNCC1NC(=O)[C@@H](N)[C@@H](C)O
InChIInChI=1S/C10H20N4O3/c1-6(15)9(11)10(16)13-8-5-12-4-3-7(8)14-17-2/h6,8-9,12,15H,3-5,11H2,1-2H3,(H,13,16)/t6-,8?,9+/m1/s1
InChIKeyUVLWSZHUWHFVCJ-MSSDQNSGSA-N
MW244.29 g/mol
LogP-1.83
Rot. Bonds4

About (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide

(2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide (PubChem CID 141356278) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide
PubChem CID141356278
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name(2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide
SMILESCON=C1CCNCC1NC(=O)[C@@H](N)[C@@H](C)O
InChIInChI=1S/C10H20N4O3/c1-6(15)9(11)10(16)13-8-5-12-4-3-7(8)14-17-2/h6,8-9,12,15H,3-5,11H2,1-2H3,(H,13,16)/t6-,8?,9+/m1/s1
InChIKeyUVLWSZHUWHFVCJ-MSSDQNSGSA-N
XLogP-1.83
TPSA108.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide with MolForge

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Related Compounds

methanesulfonic acid;4-methoxyimino-N-methylpiperidin-3-amine
CID 174493599
methyl (2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]propanoate
CID 57097611
(2S,3R)-2-amino-N-[(3E,5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]-3-hydroxybutanamide
CID 70876952
2-amino-3-hydroxy-N-methylbutanamide;ethane
CID 155713767
methanesulfonic acid;pentakis((4-methoxyiminopyrrolidin-3-yl)methanamine)
CID 173166840
2-methoxy-N-[(3S)-piperidin-3-yl]propanamide
CID 103866505
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-7-yl)pentanamide;hydrochloride
CID 119787817
methyl 3-methyl-2-piperidin-3-ylbutanoate
CID 83880549
(2S,3R)-2-amino-3-hydroxy-N-(2-phenylacetyl)butanamide
CID 174682682
(2S)-2-amino-N-(3-bicyclo[3.1.0]hexanyl)-3-methylbutanamide
CID 131001553
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide?
The IUPAC name of (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide (CID 141356278) is (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide?
The canonical SMILES for (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide is CON=C1CCNCC1NC(=O)[C@@H](N)[C@@H](C)O.
What is the InChIKey of (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide?
The InChIKey is UVLWSZHUWHFVCJ-MSSDQNSGSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-6(15)9(11)10(16)13-8-5-12-4-3-7(8)14-17-2/h6,8-9,12,15H,3-5,11H2,1-2H3,(H,13,16)/t6-,8?,9+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide?
(2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide has a molecular weight of 244.29 g/mol, XLogP of -1.83, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-hydroxy-N-(4-methoxyiminopiperidin-3-yl)butanamide is sourced from PubChem (CID 141356278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).