(2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride

C11H22ClN3O2 — CID 119655849

IUPAC(2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)[C@@H]1CCC(=O)N1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-11(2,6-12)7-14(3)10(16)8-4-5-9(15)13-8;/h8H,4-7,12H2,1-3H3,(H,13,15);1H/t8-;/m0./s1
InChIKeyDHNGWNCJFAPASW-QRPNPIFTSA-N
MW263.77 g/mol
LogP0.13
Rot. Bonds4

About (2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119655849) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is (2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride
PubChem CID119655849
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name(2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)[C@@H]1CCC(=O)N1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-11(2,6-12)7-14(3)10(16)8-4-5-9(15)13-8;/h8H,4-7,12H2,1-3H3,(H,13,15);1H/t8-;/m0./s1
InChIKeyDHNGWNCJFAPASW-QRPNPIFTSA-N
XLogP0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-ethyl-5-oxopyrrolidine-2-carboxamide
CID 79668308
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide;hydrochloride
CID 119655986
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 81484591
(2R)-N-(3-aminopropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103807278
(2R)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103840269
N-(3-amino-2,2-dimethylpropyl)-N-methylthiane-2-carboxamide
CID 80594937
N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119654808
N-methyl-5-oxo-N-(piperidin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 106627526
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 79652406
(2S)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 105359461
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 81487399
5-(2,2-dimethylpropanoyl)pyrrolidin-2-one
CID 76615275

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride (CID 119655849) is (2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)[C@@H]1CCC(=O)N1.Cl.
What is the InChIKey of (2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is DHNGWNCJFAPASW-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-11(2,6-12)7-14(3)10(16)8-4-5-9(15)13-8;/h8H,4-7,12H2,1-3H3,(H,13,15);1H/t8-;/m0./s1.
What are the key properties of (2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119655849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).