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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Related Compounds

2-(pyrrolidin-3-ylamino)propanoic acid
CID 66810239
N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119748205
1-pyrrolidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 115880387
1-piperidin-1-yl-2-(pyrrolidin-3-ylamino)propan-1-one
CID 79730724
ethyl 2-(pyrrolidin-3-ylamino)propanoate
CID 79741945
(3R)-N-propan-2-ylpyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 86642075
(3R)-N-propan-2-ylpyrrolidin-3-amine
CID 53346611
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-piperidin-3-ylbutanamide
CID 115738511
3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 119449946
N-tert-butyl-2-(6-oxaspiro[4.5]decan-9-ylamino)propanamide
CID 115731804
N-tert-butyl-2-[(2,4-dimethylcyclohexyl)amino]propanamide
CID 63995714
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710

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).