N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide

C10H20N4O — CID 79155690

IUPACN-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide
SMILES[H]/N=C(\N)C(NC(=O)N1CCCC1)C(C)C
InChIInChI=1S/C10H20N4O/c1-7(2)8(9(11)12)13-10(15)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H3,11,12)(H,13,15)
InChIKeyQOLADHMKCVBYNR-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.75
Rot. Bonds3

About N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide

N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide (PubChem CID 79155690) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide
PubChem CID79155690
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide
SMILES[H]/N=C(\N)C(NC(=O)N1CCCC1)C(C)C
InChIInChI=1S/C10H20N4O/c1-7(2)8(9(11)12)13-10(15)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H3,11,12)(H,13,15)
InChIKeyQOLADHMKCVBYNR-UHFFFAOYSA-N
XLogP0.75
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide (CID 79155690) is N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide is [H]/N=C(\N)C(NC(=O)N1CCCC1)C(C)C.
What is the InChIKey of N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is QOLADHMKCVBYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-7(2)8(9(11)12)13-10(15)14-5-3-4-6-14/h7-8H,3-6H2,1-2H3,(H3,11,12)(H,13,15).
What are the key properties of N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide?
N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 212.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-imino-3-methylbutan-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 79155690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).