2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid

C18H33N5O5 — CID 67800576

IUPAC2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid
SMILESNC(=O)CN(CCNC(=O)N1CCC(OCC2CCNCC2)CC1)CC(=O)O
InChIInChI=1S/C18H33N5O5/c19-16(24)11-22(12-17(25)26)10-7-21-18(27)23-8-3-15(4-9-23)28-13-14-1-5-20-6-2-14/h14-15,20H,1-13H2,(H2,19,24)(H,21,27)(H,25,26)
InChIKeyLEAQULDYCTYJAQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP-0.95
Rot. Bonds10

About 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid

2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid (PubChem CID 67800576) has the molecular formula C18H33N5O5 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid
PubChem CID67800576
Molecular FormulaC18H33N5O5
Molecular Weight399.49 g/mol
Exact Mass399.25
IUPAC Name2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid
SMILESNC(=O)CN(CCNC(=O)N1CCC(OCC2CCNCC2)CC1)CC(=O)O
InChIInChI=1S/C18H33N5O5/c19-16(24)11-22(12-17(25)26)10-7-21-18(27)23-8-3-15(4-9-23)28-13-14-1-5-20-6-2-14/h14-15,20H,1-13H2,(H2,19,24)(H,21,27)(H,25,26)
InChIKeyLEAQULDYCTYJAQ-UHFFFAOYSA-N
XLogP-0.95
TPSA137.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]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-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid (CID 67800576) is 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid is NC(=O)CN(CCNC(=O)N1CCC(OCC2CCNCC2)CC1)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid?
The InChIKey is LEAQULDYCTYJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O5/c19-16(24)11-22(12-17(25)26)10-7-21-18(27)23-8-3-15(4-9-23)28-13-14-1-5-20-6-2-14/h14-15,20H,1-13H2,(H2,19,24)(H,21,27)(H,25,26).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid?
2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid has a molecular weight of 399.49 g/mol, XLogP of -0.95, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 67800576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).