2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid

C22H33N3O3 — CID 122011706

IUPAC2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)N[C@H](C)C2CCCc3ccccc32)CC1
InChIInChI=1S/C22H33N3O3/c1-3-24(15-21(26)27)18-11-13-25(14-12-18)22(28)23-16(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-5,7,9,16,18-19H,3,6,8,10-15H2,1-2H3,(H,23,28)(H,26,27)/t16-,19?/m1/s1
InChIKeyIRZCSPOEZZRPPX-VTBWFHPJSA-N
MW387.52 g/mol
LogP3.08
Rot. Bonds6

About 2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122011706) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid
PubChem CID122011706
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CCN(C(=O)N[C@H](C)C2CCCc3ccccc32)CC1
InChIInChI=1S/C22H33N3O3/c1-3-24(15-21(26)27)18-11-13-25(14-12-18)22(28)23-16(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-5,7,9,16,18-19H,3,6,8,10-15H2,1-2H3,(H,23,28)(H,26,27)/t16-,19?/m1/s1
InChIKeyIRZCSPOEZZRPPX-VTBWFHPJSA-N
XLogP3.08
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]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-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid (CID 122011706) is 2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid is CCN(CC(=O)O)C1CCN(C(=O)N[C@H](C)C2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is IRZCSPOEZZRPPX-VTBWFHPJSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-3-24(15-21(26)27)18-11-13-25(14-12-18)22(28)23-16(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-5,7,9,16,18-19H,3,6,8,10-15H2,1-2H3,(H,23,28)(H,26,27)/t16-,19?/m1/s1.
What are the key properties of 2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 387.52 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[[(1R)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]carbamoyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122011706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).