4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid

C10H17NO4 — CID 63720854

IUPAC4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
SMILESCC(C)OC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-6(2)15-10(14)11-4-7(3)8(5-11)9(12)13/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyWPSGRGIUJKBICL-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.18
Rot. Bonds2

About 4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid

4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid (PubChem CID 63720854) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
PubChem CID63720854
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid
SMILESCC(C)OC(=O)N1CC(C)C(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-6(2)15-10(14)11-4-7(3)8(5-11)9(12)13/h6-8H,4-5H2,1-3H3,(H,12,13)
InChIKeyWPSGRGIUJKBICL-UHFFFAOYSA-N
XLogP1.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl (3S,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 79410861
propan-2-yl 3,4-dihydroxypyrrolidine-1-carboxylate
CID 106668534
4-methyl-1-(4-propan-2-ylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 103500429
(3S,4S)-4-methyl-1-(3-propan-2-yloxypropanoyl)pyrrolidine-3-carboxylic acid
CID 120953277
propan-2-yl 3-(difluoromethyl)azetidine-1-carboxylate
CID 139305109
propan-2-yl 9-methyl-3-oxa-7-azabicyclo[3.3.1]nonane-7-carboxylate
CID 122467195
4-methyl-1-(3-methylpentan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63720250
(3S,4S)-4-methyl-1-(4-propan-2-ylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 120952125
propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate
CID 79867797
1-[ethyl(propan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63719541
(3S,4S)-1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085897
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 55230725

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid (CID 63720854) is 4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid is CC(C)OC(=O)N1CC(C)C(C(=O)O)C1.
What is the InChIKey of 4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid?
The InChIKey is WPSGRGIUJKBICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-6(2)15-10(14)11-4-7(3)8(5-11)9(12)13/h6-8H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid?
4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yloxycarbonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).