2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid

C17H29N3O6 — CID 70045117

IUPAC2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid
SMILESC[C@H](NC(=O)COC1CCNCC1)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C17H29N3O6/c1-12(19-15(21)10-25-13-2-6-18-7-3-13)17(24)20-8-4-14(5-9-20)26-11-16(22)23/h12-14,18H,2-11H2,1H3,(H,19,21)(H,22,23)/t12-/m0/s1
InChIKeyJOGMATFEMJOPHR-LBPRGKRZSA-N
MW371.43 g/mol
LogP-0.65
Rot. Bonds8

About 2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid

2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid (PubChem CID 70045117) has the molecular formula C17H29N3O6 and a molecular weight of 371.43 g/mol. Its IUPAC name is 2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid
PubChem CID70045117
Molecular FormulaC17H29N3O6
Molecular Weight371.43 g/mol
Exact Mass371.21
IUPAC Name2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid
SMILESC[C@H](NC(=O)COC1CCNCC1)C(=O)N1CCC(OCC(=O)O)CC1
InChIInChI=1S/C17H29N3O6/c1-12(19-15(21)10-25-13-2-6-18-7-3-13)17(24)20-8-4-14(5-9-20)26-11-16(22)23/h12-14,18H,2-11H2,1H3,(H,19,21)(H,22,23)/t12-/m0/s1
InChIKeyJOGMATFEMJOPHR-LBPRGKRZSA-N
XLogP-0.65
TPSA117.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic 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-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid (CID 70045117) is 2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid is C[C@H](NC(=O)COC1CCNCC1)C(=O)N1CCC(OCC(=O)O)CC1.
What is the InChIKey of 2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is JOGMATFEMJOPHR-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H29N3O6/c1-12(19-15(21)10-25-13-2-6-18-7-3-13)17(24)20-8-4-14(5-9-20)26-11-16(22)23/h12-14,18H,2-11H2,1H3,(H,19,21)(H,22,23)/t12-/m0/s1.
What are the key properties of 2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid?
2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 371.43 g/mol, XLogP of -0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-[(2-piperidin-4-yloxyacetyl)amino]propanoyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 70045117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).