(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide

C9H18N2O2 — CID 82724337

IUPAC(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
SMILESCC(C)(C)ONC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-11-8(12)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyTYKYCOKVFNEQNN-ZETCQYMHSA-N
MW186.25 g/mol
LogP0.58
Rot. Bonds2

About (2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide

(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide (PubChem CID 82724337) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
PubChem CID82724337
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide
SMILESCC(C)(C)ONC(=O)[C@@H]1CCCN1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)13-11-8(12)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1
InChIKeyTYKYCOKVFNEQNN-ZETCQYMHSA-N
XLogP0.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-pyrrolidine-2-carboxylate
CID 6931635
N-(2,2,2-trifluoroethoxy)pyrrolidine-2-carboxamide
CID 81433256
(2S)-N-(2-amino-2-oxoethoxy)pyrrolidine-2-carboxamide
CID 103955972
N-(2,3-dihydroxy-2-methylpropyl)pyrrolidine-2-carboxamide
CID 66188372
N-(2-methyl-2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115666735
tert-butyl carbamate;(2S)-pyrrolidine-2-carboxylic acid
CID 69016089
(2R)-N-(3-hydroxy-2-methylbutan-2-yl)pyrrolidine-2-carboxamide
CID 104901499
chloromethane;(2R)-pyrrolidine-2-carboxamide
CID 143336240
(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2R)-pyrrolidine-2-carbonyl]amino]propanoic acid
CID 112737475
tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 11778633
(2R)-N-propan-2-ylpyrrolidine-2-carboxamide;hydrochloride
CID 139022811
methyl 2-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
CID 119291009

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide (CID 82724337) is (2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide is CC(C)(C)ONC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
The InChIKey is TYKYCOKVFNEQNN-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)13-11-8(12)7-5-4-6-10-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide?
(2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxamide is sourced from PubChem (CID 82724337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).