(3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

C13H24N2O3 — CID 9364839

IUPAC(3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@H](C(=O)NC(C)(C)C)CC1=O
InChIInChI=1S/C13H24N2O3/c1-9(8-18-5)15-7-10(6-11(15)16)12(17)14-13(2,3)4/h9-10H,6-8H2,1-5H3,(H,14,17)/t9-,10+/m0/s1
InChIKeyQWBRRZBXVPZQHH-VHSXEESVSA-N
MW256.35 g/mol
LogP0.78
Rot. Bonds4

About (3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 9364839) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID9364839
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name(3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOC[C@H](C)N1C[C@H](C(=O)NC(C)(C)C)CC1=O
InChIInChI=1S/C13H24N2O3/c1-9(8-18-5)15-7-10(6-11(15)16)12(17)14-13(2,3)4/h9-10H,6-8H2,1-5H3,(H,14,17)/t9-,10+/m0/s1
InChIKeyQWBRRZBXVPZQHH-VHSXEESVSA-N
XLogP0.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 2988340
N-isopropyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3243347
N-tert-butyl-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 53501666
4-(Aminomethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45791025
1-cyclopentyl-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 3236873
Methyl 2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
CID 47167712
N-tert-butyl-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 53501416
1-(cyclopropylmethyl)-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 53501503
1-ethyl-N-(2-methylbutan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 53501629
Methyl 2-methyl-2-[[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 53502139
Methyl 2-methyl-2-[(1-methyl-5-oxopyrrolidine-3-carbonyl)amino]propanoate
CID 53518422
Methyl 2-[(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
CID 60437501

Frequently Asked Questions

What is the IUPAC name of (3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 9364839) is (3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is COC[C@H](C)N1C[C@H](C(=O)NC(C)(C)C)CC1=O.
What is the InChIKey of (3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QWBRRZBXVPZQHH-VHSXEESVSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(8-18-5)15-7-10(6-11(15)16)12(17)14-13(2,3)4/h9-10H,6-8H2,1-5H3,(H,14,17)/t9-,10+/m0/s1.
What are the key properties of (3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-tert-butyl-1-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 9364839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).