(2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid

C11H16N2O5 — CID 175871102

IUPAC(2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCOC(=O)N1C(=O)C(CC2(N)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C11H16N2O5/c1-18-10(17)13-7(9(15)16)4-6(8(13)14)5-11(12)2-3-11/h6-7H,2-5,12H2,1H3,(H,15,16)/t6?,7-/m0/s1
InChIKeyBELAGNJJLYCJEP-MLWJPKLSSA-N
MW256.26 g/mol
LogP-0.06
Rot. Bonds3

About (2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid

(2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 175871102) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID175871102
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCOC(=O)N1C(=O)C(CC2(N)CC2)C[C@H]1C(=O)O
InChIInChI=1S/C11H16N2O5/c1-18-10(17)13-7(9(15)16)4-6(8(13)14)5-11(12)2-3-11/h6-7H,2-5,12H2,1H3,(H,15,16)/t6?,7-/m0/s1
InChIKeyBELAGNJJLYCJEP-MLWJPKLSSA-N
XLogP-0.06
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-methoxycarbonyl-4-methylidene-5-oxopyrrolidine-2-carboxylic acid
CID 175871143
dimethyl (2S,4R)-4-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 11023670
dimethyl (2S,4R)-4-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-1,2-dicarboxylate
CID 11782796
4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 83815578
1-O-tert-butyl 2-O-methyl (2S,4R)-4-[(2S)-2-amino-2-cyanoethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 170014555
methyl 2,2-dimethyl-5-oxopyrrolidine-1-carboxylate
CID 45122962
4-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid
CID 174636526
(2S,4R)-1-methoxycarbonyl-2-methyl-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136585449
ditert-butyl (2S,4R)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 15516009
methyl (2S,4R)-1,4-dibenzyl-5-oxopyrrolidine-2-carboxylate
CID 15432229
1-O-tert-butyl 2-O-ethyl (2S,4S)-4-benzyl-5-oxopyrrolidine-1,2-dicarboxylate
CID 10948010
bis(3,3-dimethylbutyl) 5-oxo-4-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 67365697

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid (CID 175871102) is (2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid is COC(=O)N1C(=O)C(CC2(N)CC2)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is BELAGNJJLYCJEP-MLWJPKLSSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-18-10(17)13-7(9(15)16)4-6(8(13)14)5-11(12)2-3-11/h6-7H,2-5,12H2,1H3,(H,15,16)/t6?,7-/m0/s1.
What are the key properties of (2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid?
(2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(1-aminocyclopropyl)methyl]-1-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175871102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).