6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid

C19H36N4O5 — CID 133081483

IUPAC6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid
SMILESNCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(=O)O
InChIInChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1
InChIKeyDVULGIIJYZWCHK-AAFJCEBUSA-N
MW400.52 g/mol
LogP1.11
Rot. Bonds7

About 6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid

6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid (PubChem CID 133081483) has the molecular formula C19H36N4O5 and a molecular weight of 400.52 g/mol. Its IUPAC name is 6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid
PubChem CID133081483
Molecular FormulaC19H36N4O5
Molecular Weight400.52 g/mol
Exact Mass400.27
IUPAC Name6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid
SMILESNCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(=O)O
InChIInChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1
InChIKeyDVULGIIJYZWCHK-AAFJCEBUSA-N
XLogP1.11
TPSA142.78 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid?
The IUPAC name of 6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid (CID 133081483) is 6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid?
The canonical SMILES for 6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid is NCCCCC(NC(=O)N[C@@H]1CCCCCCCCOCCNC1=O)C(=O)O.
What is the InChIKey of 6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid?
The InChIKey is DVULGIIJYZWCHK-AAFJCEBUSA-N. The full InChI is InChI=1S/C19H36N4O5/c20-11-7-6-10-16(18(25)26)23-19(27)22-15-9-5-3-1-2-4-8-13-28-14-12-21-17(15)24/h15-16H,1-14,20H2,(H,21,24)(H,25,26)(H2,22,23,27)/t15-,16?/m1/s1.
What are the key properties of 6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid?
6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid has a molecular weight of 400.52 g/mol, XLogP of 1.11, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[[(6R)-5-oxo-1-oxa-4-azacyclotetradec-6-yl]carbamoylamino]hexanoic acid is sourced from PubChem (CID 133081483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).