2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid

C13H23N3O4 — CID 62676642

IUPAC2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid
SMILESCCNC(=O)CN(C)C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-3-14-11(17)9-15(2)13(20)16-6-4-5-10(8-16)7-12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyXARLWDPHGUOJFA-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.36
Rot. Bonds5

About 2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid

2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid (PubChem CID 62676642) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid
PubChem CID62676642
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid
SMILESCCNC(=O)CN(C)C(=O)N1CCCC(CC(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-3-14-11(17)9-15(2)13(20)16-6-4-5-10(8-16)7-12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19)
InChIKeyXARLWDPHGUOJFA-UHFFFAOYSA-N
XLogP0.36
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
2-[1-[methyl(2-pyrrolidin-1-ylethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 63209312
2-[1-[cyclopentyl(ethyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691355
2-[1-[ethyl(propan-2-yl)carbamoyl]piperidin-3-yl]acetic acid
CID 62689121
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 83113670
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
CID 62677015
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
3-(ethylaminomethyl)piperidine-1-carboxylic acid
CID 146302928
2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-3-yl]acetic acid
CID 62978191

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid (CID 62676642) is 2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid is CCNC(=O)CN(C)C(=O)N1CCCC(CC(=O)O)C1.
What is the InChIKey of 2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is XARLWDPHGUOJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-3-14-11(17)9-15(2)13(20)16-6-4-5-10(8-16)7-12(18)19/h10H,3-9H2,1-2H3,(H,14,17)(H,18,19).
What are the key properties of 2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid?
2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62676642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).