2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid

C11H18N2O5 — CID 79605754

IUPAC2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESCOC(=O)NC(=O)CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H18N2O5/c1-18-11(17)12-9(14)7-13-4-2-8(3-5-13)6-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyIROLYMVSQPEPEV-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.06
Rot. Bonds4

About 2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid

2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid (PubChem CID 79605754) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
PubChem CID79605754
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
SMILESCOC(=O)NC(=O)CN1CCC(CC(=O)O)CC1
InChIInChI=1S/C11H18N2O5/c1-18-11(17)12-9(14)7-13-4-2-8(3-5-13)6-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyIROLYMVSQPEPEV-UHFFFAOYSA-N
XLogP0.06
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(2-methoxyethylamino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608279
2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-4-yl]acetic acid
CID 79608129
methyl 1-[2-(methoxycarbonylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 78925540
methyl N-(2-piperazin-1-ylacetyl)carbamate
CID 43162377
methyl N-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]carbamate
CID 11940465
methyl N-[2-(4-amino-3-ethylpiperidin-1-yl)acetyl]carbamate
CID 81460877
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611369
2-[1-[3-(methylamino)-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79609077
2-[4-[2-(methoxycarbonylamino)-2-oxoethyl]thiomorpholin-3-yl]acetic acid
CID 66443403
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 80552650
2-[1-[2-(azetidin-1-yl)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79608262
methyl (3S)-1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 79046631

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid (CID 79605754) is 2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid is COC(=O)NC(=O)CN1CCC(CC(=O)O)CC1.
What is the InChIKey of 2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid?
The InChIKey is IROLYMVSQPEPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-18-11(17)12-9(14)7-13-4-2-8(3-5-13)6-10(15)16/h8H,2-7H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid?
2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methoxycarbonylamino)-2-oxoethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 79605754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).