2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid

C17H30N2O3 — CID 25312552

IUPAC2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid
SMILESCCN(CC)CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)O
InChIInChI=1S/C17H30N2O3/c1-3-18(4-2)9-7-15-12-19(17(22)13-5-6-13)10-8-14(15)11-16(20)21/h13-15H,3-12H2,1-2H3,(H,20,21)/t14-,15-/m0/s1
InChIKeyNMQMJTCABBDTRF-GJZGRUSLSA-N
MW310.44 g/mol
LogP2.07
Rot. Bonds8

About 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid

2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid (PubChem CID 25312552) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid
PubChem CID25312552
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid
SMILESCCN(CC)CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)O
InChIInChI=1S/C17H30N2O3/c1-3-18(4-2)9-7-15-12-19(17(22)13-5-6-13)10-8-14(15)11-16(20)21/h13-15H,3-12H2,1-2H3,(H,20,21)/t14-,15-/m0/s1
InChIKeyNMQMJTCABBDTRF-GJZGRUSLSA-N
XLogP2.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-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

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid (CID 25312552) is 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid is CCN(CC)CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)O.
What is the InChIKey of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid?
The InChIKey is NMQMJTCABBDTRF-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-18(4-2)9-7-15-12-19(17(22)13-5-6-13)10-8-14(15)11-16(20)21/h13-15H,3-12H2,1-2H3,(H,20,21)/t14-,15-/m0/s1.
What are the key properties of 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid?
2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid has a molecular weight of 310.44 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-1-(cyclopropanecarbonyl)-3-[2-(diethylamino)ethyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 25312552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).