N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide

C13H25N3O2 — CID 112701709

IUPACN-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
SMILESCC(NC(=O)CC1CCCN1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-9(12(18)16-13(2,3)4)15-11(17)8-10-6-5-7-14-10/h9-10,14H,5-8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyIUNWTFGUWHDETG-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.55
Rot. Bonds4

About N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide

N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide (PubChem CID 112701709) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
PubChem CID112701709
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide
SMILESCC(NC(=O)CC1CCCN1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H25N3O2/c1-9(12(18)16-13(2,3)4)15-11(17)8-10-6-5-7-14-10/h9-10,14H,5-8H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyIUNWTFGUWHDETG-UHFFFAOYSA-N
XLogP0.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
methyl (2R)-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate;hydrochloride
CID 119781300
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080717
N-(3-methylpentan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 103811397
N-(1-ethylsulfonylpropan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119786793
N-(dicyclopropylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366652
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 115738511
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080673
N-tert-butyl-3-[(2R)-pyrrolidin-2-yl]propanamide
CID 154936756

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide?
The IUPAC name of N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide (CID 112701709) is N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide is CC(NC(=O)CC1CCCN1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide?
The InChIKey is IUNWTFGUWHDETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(12(18)16-13(2,3)4)15-11(17)8-10-6-5-7-14-10/h9-10,14H,5-8H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide?
N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide has a molecular weight of 255.36 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanamide is sourced from PubChem (CID 112701709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).