1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid

C15H26N2O4 — CID 53413965

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-9-6-12(10-17)16-7-4-11(5-8-16)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyHDJUQMXQBAWFHA-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.79
Rot. Bonds2

About 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid (PubChem CID 53413965) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid
PubChem CID53413965
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(N2CCC(C(=O)O)CC2)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-9-6-12(10-17)16-7-4-11(5-8-16)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19)
InChIKeyHDJUQMXQBAWFHA-UHFFFAOYSA-N
XLogP1.79
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid
CID 392871
(R)-1-(1-(tert-butoxycarbonyl)pyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 664954
1-[1-(tert-Butoxycarbonyl)-4-piperidinyl]-5-oxo-3-pyrrolidinecarboxylic acid
CID 18526034
1-[(Tert-butoxy)carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 23079912
(2S,3S)-1-(tert-butoxycarbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 68713817
1-{1-[(Tert-butoxy)carbonyl]azetidin-3-yl}piperidine-4-carboxylic acid
CID 146021359
1-((2S)-1-((tert-butoxy)carbonyl)pyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 947573
Rac-(1s,3s)-3-{4-[(tert-butoxy)carbonyl]piperazin-1-yl}cyclobutane-1-carboxylic acid
CID 125453534
1'-(tert-Butoxycarbonyl)-[1,4'-bipiperidine]-4-carboxylic acid
CID 51063818
3-Fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrrolidine-3-carboxylic acid
CID 115053517
(S)-1-(1-(tert-Butoxycarbonyl)pyrrolidine-2-carbonyl)piperidine-4-carboxylic acid
CID 4202826
[4-(4-Carboxypiperidine-1-carbonyl)oxy-4-methylpentyl]-trimethylazanium
CID 59582319

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid (CID 53413965) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(N2CCC(C(=O)O)CC2)C1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid?
The InChIKey is HDJUQMXQBAWFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-9-6-12(10-17)16-7-4-11(5-8-16)13(18)19/h11-12H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 53413965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).