N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

C12H24ClN3O3 — CID 119748183

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CC(O)CN1)C(=O)NC(C)(C)C.Cl
InChIInChI=1S/C12H23N3O3.ClH/c1-7(10(17)15-12(2,3)4)14-11(18)9-5-8(16)6-13-9;/h7-9,13,16H,5-6H2,1-4H3,(H,14,18)(H,15,17);1H
InChIKeyIGCPLQSJERFCDJ-UHFFFAOYSA-N
MW293.80 g/mol
LogP-0.45
Rot. Bonds3

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119748183) has the molecular formula C12H24ClN3O3 and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
PubChem CID119748183
Molecular FormulaC12H24ClN3O3
Molecular Weight293.80 g/mol
Exact Mass293.15
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
SMILESCC(NC(=O)C1CC(O)CN1)C(=O)NC(C)(C)C.Cl
InChIInChI=1S/C12H23N3O3.ClH/c1-7(10(17)15-12(2,3)4)14-11(18)9-5-8(16)6-13-9;/h7-9,13,16H,5-6H2,1-4H3,(H,14,18)(H,15,17);1H
InChIKeyIGCPLQSJERFCDJ-UHFFFAOYSA-N
XLogP-0.45
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130637003
tert-butyl (2S)-2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]propanoate
CID 165351513
N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopropanecarboxamide
CID 112684633
(2R,4S)-N-butan-2-yl-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130719317
4-hydroxy-N-(4-methoxy-4-methylpentan-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119803231
N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119748205
N-[1-(tert-butylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide
CID 112701693
(2R)-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 79009605
N-[(1S)-1-cyclopentylethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81391568
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]cyclopentane-1-carboxamide
CID 112701696
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 47798207
(2R,4S)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 93266684

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride (CID 119748183) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is CC(NC(=O)C1CC(O)CN1)C(=O)NC(C)(C)C.Cl.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is IGCPLQSJERFCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3.ClH/c1-7(10(17)15-12(2,3)4)14-11(18)9-5-8(16)6-13-9;/h7-9,13,16H,5-6H2,1-4H3,(H,14,18)(H,15,17);1H.
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 293.80 g/mol, XLogP of -0.45, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119748183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).