1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid

C14H25NO4 — CID 63140898

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-10(2)8-14(11(16)17)6-7-15(9-14)12(18)19-13(3,4)5/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyRYHYOYWXOMGJQT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.74
Rot. Bonds3

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid (PubChem CID 63140898) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
PubChem CID63140898
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H25NO4/c1-10(2)8-14(11(16)17)6-7-15(9-14)12(18)19-13(3,4)5/h10H,6-9H2,1-5H3,(H,16,17)
InChIKeyRYHYOYWXOMGJQT-UHFFFAOYSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid (CID 63140898) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid is CC(C)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RYHYOYWXOMGJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)8-14(11(16)17)6-7-15(9-14)12(18)19-13(3,4)5/h10H,6-9H2,1-5H3,(H,16,17).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 271.36 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(2-methylpropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63140898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).