N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide

C7H13N3O2 — CID 77038392

IUPACN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
SMILESCC(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C7H13N3O2/c1-4(11)9-6(5-2-3-5)7(8)10-12/h5-6,12H,2-3H2,1H3,(H2,8,10)(H,9,11)
InChIKeyPZVPDJGAIXWOAG-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.35
Rot. Bonds3

About N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide

N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide (PubChem CID 77038392) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
PubChem CID77038392
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide
SMILESCC(=O)NC(C(N)=NO)C1CC1
InChIInChI=1S/C7H13N3O2/c1-4(11)9-6(5-2-3-5)7(8)10-12/h5-6,12H,2-3H2,1H3,(H2,8,10)(H,9,11)
InChIKeyPZVPDJGAIXWOAG-UHFFFAOYSA-N
XLogP-0.35
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
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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Related Compounds

(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)urea
CID 77038333
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-methoxyacetamide
CID 77039366
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)cycloheptanecarboxamide
CID 77039187
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2-ethoxyacetamide
CID 77037057
methyl 2-acetamido-2-cyclopropylacetate
CID 121215489
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-4-tert-butylcyclohexane-1-carboxamide
CID 77039306
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)azepane-1-carboxamide
CID 79151860
(2S)-2-acetamido-2-cyclopentylacetamide
CID 177134286
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3,5,5-trimethylhexanamide
CID 77038709
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 77057586
(2R)-2-acetamido-2-[4-(diaminomethylideneamino)cyclohexyl]acetic acid
CID 22840786
N-(1-cyclopropyl-3-methyl-2-oxobutyl)acetamide
CID 76825713

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide?
The IUPAC name of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide (CID 77038392) is N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide.
What is the SMILES notation for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide?
The canonical SMILES for N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide is CC(=O)NC(C(N)=NO)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide?
The InChIKey is PZVPDJGAIXWOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4(11)9-6(5-2-3-5)7(8)10-12/h5-6,12H,2-3H2,1H3,(H2,8,10)(H,9,11).
What are the key properties of N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide?
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide has a molecular weight of 171.20 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 N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)acetamide is sourced from PubChem (CID 77038392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).