(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid

C10H17NO4 — CID 94917653

IUPAC(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)COC(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-7(2)6-15-10(14)11-4-3-8(5-11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyVKLUXXALTKVJCL-MRVPVSSYSA-N
MW215.25 g/mol
LogP1.19
Rot. Bonds3

About (3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid

(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 94917653) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
PubChem CID94917653
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)COC(=O)N1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-7(2)6-15-10(14)11-4-3-8(5-11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-/m1/s1
InChIKeyVKLUXXALTKVJCL-MRVPVSSYSA-N
XLogP1.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl (3R)-3-aminopyrrolidine-1-carboxylate
CID 94340136
2-methylpropyl 3-aminopyrrolidine-1-carboxylate
CID 62067213
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 4-(1-trimethylstannylethenyl)piperidine-1-carboxylate
CID 69120900
2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737621
1-(2-methylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63031885
2-methylpropyl 3-aminopiperidine-1-carboxylate
CID 61297583
2-methylpropyl 3-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 63263913
2-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 3-[(propan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 71270916
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
2-methylpropyl 4-(4-propan-2-yloxypiperidine-1-carbonyl)piperidine-1-carboxylate
CID 171072871

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid (CID 94917653) is (3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid is CC(C)COC(=O)N1CC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VKLUXXALTKVJCL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)6-15-10(14)11-4-3-8(5-11)9(12)13/h7-8H,3-6H2,1-2H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-methylpropoxycarbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 94917653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).