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

C13H21N3O4 — CID 62690284

IUPAC2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CC(=O)NC(=O)NC2CC2)C1
InChIInChI=1S/C13H21N3O4/c17-11(15-13(20)14-10-3-4-10)8-16-5-1-2-9(7-16)6-12(18)19/h9-10H,1-8H2,(H,18,19)(H2,14,15,17,20)
InChIKeyBGCNHDQXNPYHLU-UHFFFAOYSA-N
MW283.33 g/mol
LogP0.16
Rot. Bonds5

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

2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid (PubChem CID 62690284) has the molecular formula C13H21N3O4 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid
PubChem CID62690284
Molecular FormulaC13H21N3O4
Molecular Weight283.33 g/mol
Exact Mass283.15
IUPAC Name2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(CC(=O)NC(=O)NC2CC2)C1
InChIInChI=1S/C13H21N3O4/c17-11(15-13(20)14-10-3-4-10)8-16-5-1-2-9(7-16)6-12(18)19/h9-10H,1-8H2,(H,18,19)(H2,14,15,17,20)
InChIKeyBGCNHDQXNPYHLU-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperidin-3-yl]acetic acid
CID 62689759
N-(cyclopropylcarbamoyl)-2-[3-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119914633
2-[(3R)-3-aminopiperidin-1-yl]-N-(cyclopentylcarbamoyl)acetamide
CID 102977459
N-(cyclopropylcarbamoyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62371580
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclopropylcarbamoyl)acetamide;hydrochloride
CID 119925640
2-(azepan-1-yl)-N-(cyclopentylcarbamoyl)acetamide
CID 8895713
N-(cyclopentylcarbamoyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115647897
2-[1-[2-(cycloheptylamino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64616897
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
N-(cyclopropylcarbamoyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898008
2-[1-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62689102
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide;hydrochloride
CID 119925750

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid (CID 62690284) is 2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(CC(=O)NC(=O)NC2CC2)C1.
What is the InChIKey of 2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid?
The InChIKey is BGCNHDQXNPYHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4/c17-11(15-13(20)14-10-3-4-10)8-16-5-1-2-9(7-16)6-12(18)19/h9-10H,1-8H2,(H,18,19)(H2,14,15,17,20).
What are the key properties of 2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid?
2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid has a molecular weight of 283.33 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).