1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

C14H26N2O3 — CID 106981561

IUPAC1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)14(12(18)19)6-7-16(9-14)11(17)8-15-13(3,4)5/h10,15H,6-9H2,1-5H3,(H,18,19)
InChIKeyCRKBDLZTMDMDSF-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.33
Rot. Bonds4

About 1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid

1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 106981561) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID106981561
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)C1(C(=O)O)CCN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C14H26N2O3/c1-10(2)14(12(18)19)6-7-16(9-14)11(17)8-15-13(3,4)5/h10,15H,6-9H2,1-5H3,(H,18,19)
InChIKeyCRKBDLZTMDMDSF-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
CID 79036668
1-[2-(2-methoxyethylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981476
1-[2-(tert-butylamino)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 79257130
1-[2-(1-aminocyclohexyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981575
1-[2-(4-bromophenyl)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982759
1-(4-ethoxybutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982524
1-[3-(methylamino)propylcarbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983750
1-(2-amino-3-methylbutanoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981591
3-propan-2-yl-1-[2-(triazol-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 106982529
3-propan-2-yl-1-(3-pyridin-4-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 106982425
1-[2-(aminomethyl)cyclohexanecarbonyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981578
1-[2-(aminomethyl)-3-methylbutanoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106981552

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid (CID 106981561) is 1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)C1(C(=O)O)CCN(C(=O)CNC(C)(C)C)C1.
What is the InChIKey of 1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is CRKBDLZTMDMDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)14(12(18)19)6-7-16(9-14)11(17)8-15-13(3,4)5/h10,15H,6-9H2,1-5H3,(H,18,19).
What are the key properties of 1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid?
1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)acetyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 106981561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).