3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid

C14H26N2O3 — CID 61206908

IUPAC3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCCC1CCCN1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-5-11-7-6-9-15(11)13(19)16(14(2,3)4)10-8-12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyXMUMGIAUDBZQNO-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.56
Rot. Bonds4

About 3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid

3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid (PubChem CID 61206908) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid
PubChem CID61206908
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid
SMILESCCC1CCCN1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-5-11-7-6-9-15(11)13(19)16(14(2,3)4)10-8-12(17)18/h11H,5-10H2,1-4H3,(H,17,18)
InChIKeyXMUMGIAUDBZQNO-UHFFFAOYSA-N
XLogP2.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[tert-butyl-(2-carbamoylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 61200021
3-[tert-butyl-(3-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61186708
3-[tert-butyl(pyrrolidine-1-carbonyl)amino]propanoic acid
CID 61186565
6-(2-ethylpyrrolidin-1-yl)-6-oxohexanoic acid
CID 60973387
4-[(2-ethylpyrrolidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 54885988
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
2-[tert-butyl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 79256836
3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055352
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
2-[cyclopentyl-(2-ethylpiperidine-1-carbonyl)amino]acetic acid
CID 61195643
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid (CID 61206908) is 3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid is CCC1CCCN1C(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid?
The InChIKey is XMUMGIAUDBZQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-11-7-6-9-15(11)13(19)16(14(2,3)4)10-8-12(17)18/h11H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid?
3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(2-ethylpyrrolidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61206908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).