2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane

C14H29N3O3 — CID 177180760

IUPAC2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
SMILESCC.NC(CCCCNC(=O)C1CCNCC1)C(=O)O
InChIInChI=1S/C12H23N3O3.C2H6/c13-10(12(17)18)3-1-2-6-15-11(16)9-4-7-14-8-5-9;1-2/h9-10,14H,1-8,13H2,(H,15,16)(H,17,18);1-2H3
InChIKeyZEYSFSHXJYODSH-UHFFFAOYSA-N
MW287.40 g/mol
LogP0.71
Rot. Bonds7

About 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane

2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane (PubChem CID 177180760) has the molecular formula C14H29N3O3 and a molecular weight of 287.40 g/mol. Its IUPAC name is 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane.

Molecular Properties

Compound Name2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
PubChem CID177180760
Molecular FormulaC14H29N3O3
Molecular Weight287.40 g/mol
Exact Mass287.22
IUPAC Name2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
SMILESCC.NC(CCCCNC(=O)C1CCNCC1)C(=O)O
InChIInChI=1S/C12H23N3O3.C2H6/c13-10(12(17)18)3-1-2-6-15-11(16)9-4-7-14-8-5-9;1-2/h9-10,14H,1-8,13H2,(H,15,16)(H,17,18);1-2H3
InChIKeyZEYSFSHXJYODSH-UHFFFAOYSA-N
XLogP0.71
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane 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-amino-6-[[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexanecarbonyl]amino]hexanoic acid
CID 175574435
(2S)-2-amino-6-(3,4-dihydro-2H-pyrrole-2-carbonylamino)hexanoic acid
CID 51055212
(2S)-2-amino-6-piperidin-4-ylhexanoic acid
CID 54155905
N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
N-(6-methylsulfanylhexyl)piperidine-4-carboxamide
CID 114125387
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
(2S)-2-amino-5-[(2-pyrrolidin-3-ylacetyl)amino]pentanoic acid
CID 67328584
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
2-amino-6-(2-oxopropanoylamino)hexanoic acid
CID 59658344
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
N-(aminomethyl)piperidine-4-carboxamide;ethane
CID 167467064
(2S)-2-amino-6-(methylamino)hexanoic acid;ethane
CID 144761266

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane?
The IUPAC name of 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane (CID 177180760) is 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane.
What is the SMILES notation for 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane?
The canonical SMILES for 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane is CC.NC(CCCCNC(=O)C1CCNCC1)C(=O)O.
What is the InChIKey of 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane?
The InChIKey is ZEYSFSHXJYODSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3.C2H6/c13-10(12(17)18)3-1-2-6-15-11(16)9-4-7-14-8-5-9;1-2/h9-10,14H,1-8,13H2,(H,15,16)(H,17,18);1-2H3.
What are the key properties of 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane?
2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane has a molecular weight of 287.40 g/mol, XLogP of 0.71, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane is sourced from PubChem (CID 177180760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).