(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride

C11H22ClN3O2 — CID 119272921

IUPAC(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)CNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-11(2,3)14-9(15)7-13-10(16)8-5-4-6-12-8;/h8,12H,4-7H2,1-3H3,(H,13,16)(H,14,15);1H/t8-;/m0./s1
InChIKeyPHDFARUYDBINCU-QRPNPIFTSA-N
MW263.77 g/mol
LogP0.19
Rot. Bonds3

About (2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119272921) has the molecular formula C11H22ClN3O2 and a molecular weight of 263.77 g/mol. Its IUPAC name is (2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119272921
Molecular FormulaC11H22ClN3O2
Molecular Weight263.77 g/mol
Exact Mass263.14
IUPAC Name(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)NC(=O)CNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C11H21N3O2.ClH/c1-11(2,3)14-9(15)7-13-10(16)8-5-4-6-12-8;/h8,12H,4-7H2,1-3H3,(H,13,16)(H,14,15);1H/t8-;/m0./s1
InChIKeyPHDFARUYDBINCU-QRPNPIFTSA-N
XLogP0.19
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419751
(2S)-N-[2-(hydroxyamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 10419946
N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271449
N-[2-(tert-butylamino)-2-oxoethyl]morpholine-3-carboxamide;hydrochloride
CID 119692656
N-[2-(cyclopropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 43419759
(2S)-N-[2-(2-methylpropylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 103796173
(2S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274176
(2S)-N-[2-oxo-2-[8-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]octylamino]ethyl]pyrrolidine-2-carboxamide
CID 102333341
N-[2-(cyclopentylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 83620464
(3R)-N-[2-(tert-butylamino)-2-oxoethyl]piperidine-3-carboxamide
CID 81123823
N-(2-methylprop-2-enyl)pyrrolidine-2-carboxamide
CID 112703892
(2R)-N-[2-[(2-aminoacetyl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 66887574

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119272921) is (2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride is CC(C)(C)NC(=O)CNC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PHDFARUYDBINCU-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H21N3O2.ClH/c1-11(2,3)14-9(15)7-13-10(16)8-5-4-6-12-8;/h8,12H,4-7H2,1-3H3,(H,13,16)(H,14,15);1H/t8-;/m0./s1.
What are the key properties of (2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 263.77 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(tert-butylamino)-2-oxoethyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119272921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).