(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride

C16H32Cl2N4O2 — CID 127023416

IUPAC(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCCN1CCCC1.Cl.Cl
InChIInChI=1S/C16H30N4O2.2ClH/c1-16(2,15(22)17-3)20-11-6-7-13(20)14(21)18-8-12-19-9-4-5-10-19;;/h13H,4-12H2,1-3H3,(H,17,22)(H,18,21);2*1H/t13-;;/m0../s1
InChIKeyNXYHRUITXLUAOX-GXKRWWSZSA-N
MW383.36 g/mol
LogP1.03
Rot. Bonds6

About (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride

(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 127023416) has the molecular formula C16H32Cl2N4O2 and a molecular weight of 383.36 g/mol. Its IUPAC name is (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID127023416
Molecular FormulaC16H32Cl2N4O2
Molecular Weight383.36 g/mol
Exact Mass382.19
IUPAC Name(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride
SMILESCNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCCN1CCCC1.Cl.Cl
InChIInChI=1S/C16H30N4O2.2ClH/c1-16(2,15(22)17-3)20-11-6-7-13(20)14(21)18-8-12-19-9-4-5-10-19;;/h13H,4-12H2,1-3H3,(H,17,22)(H,18,21);2*1H/t13-;;/m0../s1
InChIKeyNXYHRUITXLUAOX-GXKRWWSZSA-N
XLogP1.03
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 162987527
2-[2-(azetidine-1-carbonyl)pyrrolidin-1-yl]-N,2-dimethylpropanamide
CID 162792772
N,2-dimethyl-2-[2-(4-methylpiperidine-1-carbonyl)pyrrolidin-1-yl]propanamide
CID 162793147
1-piperidin-4-yl-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61020009
2-pyrrolidin-1-ylethylurea;dihydrochloride
CID 174538220
N-(3-hydroxy-3-methylbutyl)-1-methylpyrrolidine-2-carboxamide
CID 130257130
(2S)-1-ethyl-N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 131934097
(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
4-(iodoamino)-N-(2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 88963415
1-methyl-N-pent-4-ynylpyrrolidine-2-carboxamide
CID 143354246
N-[2-[4-(3,4,4-trimethylpent-2-enoyl)piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 71994812
N-[2-(azocan-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 580958

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride (CID 127023416) is (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride is CNC(=O)C(C)(C)N1CCC[C@H]1C(=O)NCCN1CCCC1.Cl.Cl.
What is the InChIKey of (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is NXYHRUITXLUAOX-GXKRWWSZSA-N. The full InChI is InChI=1S/C16H30N4O2.2ClH/c1-16(2,15(22)17-3)20-11-6-7-13(20)14(21)18-8-12-19-9-4-5-10-19;;/h13H,4-12H2,1-3H3,(H,17,22)(H,18,21);2*1H/t13-;;/m0../s1.
What are the key properties of (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride?
(2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 383.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 127023416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).