N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide

C10H19N3O2 — CID 102778285

IUPACN-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCCCC(N)=O
InChIInChI=1S/C10H19N3O2/c1-7-4-6-12-9(7)10(15)13-5-2-3-8(11)14/h7,9,12H,2-6H2,1H3,(H2,11,14)(H,13,15)
InChIKeyARUJSVLZSFDSTO-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.63
Rot. Bonds5

About N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide

N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide (PubChem CID 102778285) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide
PubChem CID102778285
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)NCCCC(N)=O
InChIInChI=1S/C10H19N3O2/c1-7-4-6-12-9(7)10(15)13-5-2-3-8(11)14/h7,9,12H,2-6H2,1H3,(H2,11,14)(H,13,15)
InChIKeyARUJSVLZSFDSTO-UHFFFAOYSA-N
XLogP-0.63
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-pentylpyrrolidine-2-carboxamide
CID 102776846
3-methyl-N-(3-methylsulfonylpropyl)pyrrolidine-2-carboxamide
CID 102778900
3-methyl-N-(3-propoxypropyl)pyrrolidine-2-carboxamide
CID 102779934
2-methyl-5-[(3-methylpyrrolidine-2-carbonyl)amino]pentanoic acid
CID 102780024
3-methyl-N-(4-propan-2-yloxybutyl)pyrrolidine-2-carboxamide
CID 106011258
N-(2-cyclobutylethyl)-3-methylpyrrolidine-2-carboxamide
CID 102780059
5-[(3-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 107068216
N-(2-amino-2-oxoethyl)-3-methylpiperidine-2-carboxamide
CID 62338928
N-[2-(dimethylsulfamoyl)ethyl]-3-methylpyrrolidine-2-carboxamide
CID 106337275
N-[3-(dimethylamino)propyl]-3-methylpiperidine-2-carboxamide
CID 62338925
N-(cyclobutylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102777267
N-(4-amino-4-oxobutyl)-4-methylpyrrolidine-3-carboxamide
CID 63714298

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide (CID 102778285) is N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)NCCCC(N)=O.
What is the InChIKey of N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide?
The InChIKey is ARUJSVLZSFDSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7-4-6-12-9(7)10(15)13-5-2-3-8(11)14/h7,9,12H,2-6H2,1H3,(H2,11,14)(H,13,15).
What are the key properties of N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide?
N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide has a molecular weight of 213.28 g/mol, XLogP of -0.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-oxobutyl)-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).