N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide

C11H23N3O — CID 115880385

IUPACN-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
SMILESCC(NC1CCNC1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O/c1-8(10(15)14-11(2,3)4)13-9-5-6-12-7-9/h8-9,12-13H,5-7H2,1-4H3,(H,14,15)
InChIKeyAJXCVCQAJHTNLY-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.24
Rot. Bonds3

About N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide

N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide (PubChem CID 115880385) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
PubChem CID115880385
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
SMILESCC(NC1CCNC1)C(=O)NC(C)(C)C
InChIInChI=1S/C11H23N3O/c1-8(10(15)14-11(2,3)4)13-9-5-6-12-7-9/h8-9,12-13H,5-7H2,1-4H3,(H,14,15)
InChIKeyAJXCVCQAJHTNLY-UHFFFAOYSA-N
XLogP0.24
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide?
The IUPAC name of N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide (CID 115880385) is N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide is CC(NC1CCNC1)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide?
The InChIKey is AJXCVCQAJHTNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(10(15)14-11(2,3)4)13-9-5-6-12-7-9/h8-9,12-13H,5-7H2,1-4H3,(H,14,15).
What are the key properties of N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide?
N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide has a molecular weight of 213.32 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide is sourced from PubChem (CID 115880385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).