N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide

C12H23N3O2 — CID 54996423

IUPACN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCC(C)N(CC/C(N)=N/O)C(=O)C1CCCC1
InChIInChI=1S/C12H23N3O2/c1-9(2)15(8-7-11(13)14-17)12(16)10-5-3-4-6-10/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyYDLQZKXRJYZEPG-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.55
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide

N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide (PubChem CID 54996423) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
PubChem CID54996423
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCC(C)N(CC/C(N)=N/O)C(=O)C1CCCC1
InChIInChI=1S/C12H23N3O2/c1-9(2)15(8-7-11(13)14-17)12(16)10-5-3-4-6-10/h9-10,17H,3-8H2,1-2H3,(H2,13,14)
InChIKeyYDLQZKXRJYZEPG-UHFFFAOYSA-N
XLogP1.55
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
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

N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 77052802
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-ylthiolane-2-carboxamide
CID 77021707
N-(2-aminoethyl)-N-propan-2-ylcyclohexanecarboxamide
CID 28707843
N-(3-amino-3-hydroxyiminopropyl)-2,4,5-trimethyl-N-propan-2-yloxolane-3-carboxamide
CID 77057718
N-(3-hydroxypropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65023347
N-(3-chloropropyl)-N-propan-2-ylcyclooctanecarboxamide
CID 65021157
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598
N-(3-amino-3-hydroxyiminopropyl)-N-propan-2-yl-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 79212255
3-[cyclohexylsulfonyl(propan-2-yl)amino]-N'-hydroxypropanimidamide
CID 54996916
N-(2-amino-2-hydroxyiminoethyl)-N-propylcycloheptanecarboxamide
CID 76947015
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-propan-2-ylurea
CID 76911724
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-(2-methylpropyl)oxane-4-carboxamide
CID 55132762

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide (CID 54996423) is N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide is CC(C)N(CC/C(N)=N/O)C(=O)C1CCCC1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide?
The InChIKey is YDLQZKXRJYZEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)15(8-7-11(13)14-17)12(16)10-5-3-4-6-10/h9-10,17H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide?
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide has a molecular weight of 241.33 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-propan-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 54996423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).