N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride

C12H24ClN3O2 — CID 119748205

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNC1)C(=O)NC(C)(C)C.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-8(10(16)15-12(2,3)4)14-11(17)9-5-6-13-7-9;/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16);1H
InChIKeyPACJKHHMFSVHMG-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.44
Rot. Bonds3

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride

N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119748205) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID119748205
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CCNC1)C(=O)NC(C)(C)C.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-8(10(16)15-12(2,3)4)14-11(17)9-5-6-13-7-9;/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16);1H
InChIKeyPACJKHHMFSVHMG-UHFFFAOYSA-N
XLogP0.44
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
N-[1-(dimethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 63005398
N-tert-butyl-2-(pyrrolidin-3-ylamino)propanamide
CID 115880385
N-(3-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 63005391
N-(4-methylpent-1-yn-3-yl)pyrrolidine-3-carboxamide
CID 130481480
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 112701696
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
N-(5-methylhexan-2-yl)pyrrolidine-3-carboxamide
CID 63005264
(3S)-N-butan-2-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130617096
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119748183
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]propanoic acid
CID 81139769
(3S)-N-(1-cyclobutylethyl)pyrrolidine-3-carboxamide
CID 164655377

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride (CID 119748205) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride is CC(NC(=O)C1CCNC1)C(=O)NC(C)(C)C.Cl.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is PACJKHHMFSVHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-8(10(16)15-12(2,3)4)14-11(17)9-5-6-13-7-9;/h8-9,13H,5-7H2,1-4H3,(H,14,17)(H,15,16);1H.
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119748205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).