(3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide

C6H13N3O2 — CID 15290119

IUPAC(3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C/C(N)=N/O
InChIInChI=1S/C6H13N3O2/c1-4(2)8-6(10)3-5(7)9-11/h4,11H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyNUSBQZRVXWVJNK-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.35
Rot. Bonds3

About (3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide

(3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide (PubChem CID 15290119) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide
PubChem CID15290119
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C/C(N)=N/O
InChIInChI=1S/C6H13N3O2/c1-4(2)8-6(10)3-5(7)9-11/h4,11H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyNUSBQZRVXWVJNK-UHFFFAOYSA-N
XLogP-0.35
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide (CID 15290119) is (3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide is CC(C)NC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide?
The InChIKey is NUSBQZRVXWVJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-4(2)8-6(10)3-5(7)9-11/h4,11H,3H2,1-2H3,(H2,7,9)(H,8,10).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide?
(3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide has a molecular weight of 159.19 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-propan-2-ylpropanamide is sourced from PubChem (CID 15290119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).