1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride

C14H27ClN8O3 — CID 11079682

IUPAC1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride
SMILESC/C(N)=[NH+]\CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn[nH]n1.[Cl-]
InChIInChI=1S/C14H26N8O3.ClH/c1-9(15)16-8-6-5-7-10(17-13(24)25-14(2,3)4)11(23)18-12-19-21-22-20-12;/h10H,5-8H2,1-4H3,(H2,15,16)(H,17,24)(H2,18,19,20,21,22,23);1H/t10-;/m0./s1
InChIKeyMOLAUVSTEJSFRX-PPHPATTJSA-N
MW390.88 g/mol
LogP-4.34
Rot. Bonds8

About 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride

1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride (PubChem CID 11079682) has the molecular formula C14H27ClN8O3 and a molecular weight of 390.88 g/mol. Its IUPAC name is 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride.

Molecular Properties

Compound Name1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride
PubChem CID11079682
Molecular FormulaC14H27ClN8O3
Molecular Weight390.88 g/mol
Exact Mass390.19
IUPAC Name1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride
SMILESC/C(N)=[NH+]\CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn[nH]n1.[Cl-]
InChIInChI=1S/C14H26N8O3.ClH/c1-9(15)16-8-6-5-7-10(17-13(24)25-14(2,3)4)11(23)18-12-19-21-22-20-12;/h10H,5-8H2,1-4H3,(H2,15,16)(H,17,24)(H2,18,19,20,21,22,23);1H/t10-;/m0./s1
InChIKeyMOLAUVSTEJSFRX-PPHPATTJSA-N
XLogP-4.34
TPSA161.88 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 5-4.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride 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 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride?
The IUPAC name of 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride (CID 11079682) is 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride.
What is the SMILES notation for 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride?
The canonical SMILES for 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride is C/C(N)=[NH+]\CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nn[nH]n1.[Cl-].
What is the InChIKey of 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride?
The InChIKey is MOLAUVSTEJSFRX-PPHPATTJSA-N. The full InChI is InChI=1S/C14H26N8O3.ClH/c1-9(15)16-8-6-5-7-10(17-13(24)25-14(2,3)4)11(23)18-12-19-21-22-20-12;/h10H,5-8H2,1-4H3,(H2,15,16)(H,17,24)(H2,18,19,20,21,22,23);1H/t10-;/m0./s1.
What are the key properties of 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride?
1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride has a molecular weight of 390.88 g/mol, XLogP of -4.34, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethylidene-[(5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(2H-tetrazol-5-ylamino)hexyl]azanium chloride is sourced from PubChem (CID 11079682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).