methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate

C14H22N2O4 — CID 94094068

IUPACmethyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C14H22N2O4/c1-14(2,13(19)20-3)15-12(18)10-6-11(17)16(8-10)7-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyBQSMDFVWQDRGPU-SNVBAGLBSA-N
MW282.34 g/mol
LogP0.31
Rot. Bonds5

About methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate

methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate (PubChem CID 94094068) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
PubChem CID94094068
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Namemethyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C14H22N2O4/c1-14(2,13(19)20-3)15-12(18)10-6-11(17)16(8-10)7-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,15,18)/t10-/m1/s1
InChIKeyBQSMDFVWQDRGPU-SNVBAGLBSA-N
XLogP0.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-[[(3R)-1-benzyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 51881440
methyl 2-[(1-benzyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylpropanoate
CID 43074328
methyl 2-[[(3R)-1-cyclopropyl-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 95613360
1-(cyclopropylmethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 104630050
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094042
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75383641
(2S)-2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-3,3-dimethylbutanoic acid
CID 61143393
1-(cyclopropylmethyl)-N-(2,3-dihydroxy-2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 66170080
N-(2-amino-2-oxoethoxy)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 112550437
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]oxyacetic acid
CID 63914040
1-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690445
1-(cyclopropylmethyl)-N-(3-methyl-2-propan-2-ylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 102914550

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate (CID 94094068) is methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate is COC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1.
What is the InChIKey of methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate?
The InChIKey is BQSMDFVWQDRGPU-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-14(2,13(19)20-3)15-12(18)10-6-11(17)16(8-10)7-9-4-5-9/h9-10H,4-8H2,1-3H3,(H,15,18)/t10-/m1/s1.
What are the key properties of methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate?
methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate has a molecular weight of 282.34 g/mol, XLogP of 0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(3R)-1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate is sourced from PubChem (CID 94094068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).