2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid

C15H26N2O4 — CID 61439282

IUPAC2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCCN(CC1CCCO1)C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-2-16(11-13-7-5-9-21-13)15(20)17-8-4-3-6-12(17)10-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyIDDISZOYNVALEX-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.94
Rot. Bonds5

About 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid

2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid (PubChem CID 61439282) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid
PubChem CID61439282
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid
SMILESCCN(CC1CCCO1)C(=O)N1CCCCC1CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-2-16(11-13-7-5-9-21-13)15(20)17-8-4-3-6-12(17)10-14(18)19/h12-13H,2-11H2,1H3,(H,18,19)
InChIKeyIDDISZOYNVALEX-UHFFFAOYSA-N
XLogP1.94
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[ethyl(oxolan-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61439518
N-ethyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 115590777
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64617844
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
CID 61439374
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369802
2-[1-[butyl(2-hydroxyethyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61447659
1-[ethyl(oxolan-2-ylmethyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61439519
3-[[ethyl(oxolan-2-ylmethyl)carbamoyl]amino]butanoic acid
CID 61438951
2-[4-[cyclobutylmethyl(ethyl)carbamoyl]morpholin-3-yl]acetic acid
CID 107400285
2-[2-[ethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569741
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
2-[1-[bis(prop-2-enyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61193412

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid (CID 61439282) is 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid is CCN(CC1CCCO1)C(=O)N1CCCCC1CC(=O)O.
What is the InChIKey of 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid?
The InChIKey is IDDISZOYNVALEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-2-16(11-13-7-5-9-21-13)15(20)17-8-4-3-6-12(17)10-14(18)19/h12-13H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid?
2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(oxolan-2-ylmethyl)carbamoyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 61439282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).