N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide

C17H29N3O3 — CID 154760865

IUPACN-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)C1CC(=O)C1)C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C17H29N3O3/c1-11(2)7-15(18-16(22)12-8-14(21)9-12)17(23)20-6-5-13(10-20)19(3)4/h11-13,15H,5-10H2,1-4H3,(H,18,22)/t13?,15-/m0/s1
InChIKeyPFOYJOVOJGNMFR-WUJWULDRSA-N
MW323.44 g/mol
LogP0.66
Rot. Bonds6

About N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide

N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide (PubChem CID 154760865) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide
PubChem CID154760865
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide
SMILESCC(C)C[C@H](NC(=O)C1CC(=O)C1)C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C17H29N3O3/c1-11(2)7-15(18-16(22)12-8-14(21)9-12)17(23)20-6-5-13(10-20)19(3)4/h11-13,15H,5-10H2,1-4H3,(H,18,22)/t13?,15-/m0/s1
InChIKeyPFOYJOVOJGNMFR-WUJWULDRSA-N
XLogP0.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-(propan-2-ylsulfamoylamino)pentan-1-one
CID 126831461
(2S)-2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119032049
(2S)-2-amino-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 118427491
1-[3-(dimethylamino)pyrrolidin-1-yl]-2-sulfanylpropan-1-one
CID 107029351
[1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
CID 62918442
(2S)-1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)pentan-1-one
CID 125423903
1-[2-[[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]piperidine-4-carboxamide
CID 4903928
(2S)-2-[[(3R)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 125119938
tert-butyl N-[(2S)-1-(3-hydroxypyrrolidin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamate
CID 10709372
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63165078
2-(aminomethyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63164816
4-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 80541126

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide?
The IUPAC name of N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide (CID 154760865) is N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide is CC(C)C[C@H](NC(=O)C1CC(=O)C1)C(=O)N1CCC(N(C)C)C1.
What is the InChIKey of N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide?
The InChIKey is PFOYJOVOJGNMFR-WUJWULDRSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-11(2)7-15(18-16(22)12-8-14(21)9-12)17(23)20-6-5-13(10-20)19(3)4/h11-13,15H,5-10H2,1-4H3,(H,18,22)/t13?,15-/m0/s1.
What are the key properties of N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide?
N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-oxocyclobutane-1-carboxamide is sourced from PubChem (CID 154760865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).