2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid

C14H24N2O3 — CID 79608327

IUPAC2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESC=C(C)CN(CC)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-4-15(10-11(2)3)14(19)16-7-5-12(6-8-16)9-13(17)18/h12H,2,4-10H2,1,3H3,(H,17,18)
InChIKeyWLFRMQQZXNOVOD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.19
Rot. Bonds5

About 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid

2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid (PubChem CID 79608327) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid
PubChem CID79608327
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid
SMILESC=C(C)CN(CC)C(=O)N1CCC(CC(=O)O)CC1
InChIInChI=1S/C14H24N2O3/c1-4-15(10-11(2)3)14(19)16-7-5-12(6-8-16)9-13(17)18/h12H,2,4-10H2,1,3H3,(H,17,18)
InChIKeyWLFRMQQZXNOVOD-UHFFFAOYSA-N
XLogP2.19
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-[cyclopropylmethyl(ethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606749
2-[ethyl-[4-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61195912
2-[[4-[(dimethylamino)methyl]piperidine-1-carbonyl]-ethylamino]acetic acid
CID 54986151
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61369802
2-[1-[cyclopropylmethyl(propyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79606564
2-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]acetic acid
CID 61190974
2-[1-[methyl(propan-2-yl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609047
2-[1-[(2-amino-2-oxoethyl)-ethylcarbamoyl]azetidin-3-yl]acetic acid
CID 103103337
2-[1-[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]piperidin-4-yl]acetic acid
CID 79606572
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[(4-ethoxypiperidine-1-carbonyl)-ethylamino]acetic acid
CID 61216523

Frequently Asked Questions

What is the IUPAC name of 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid (CID 79608327) is 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid is C=C(C)CN(CC)C(=O)N1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid?
The InChIKey is WLFRMQQZXNOVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-15(10-11(2)3)14(19)16-7-5-12(6-8-16)9-13(17)18/h12H,2,4-10H2,1,3H3,(H,17,18).
What are the key properties of 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid?
2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[ethyl(2-methylprop-2-enyl)carbamoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).