(5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate

C11H18N2O4S — CID 141160501

IUPAC(5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate
SMILESNCCCCC([NH3+])C(=O)O.O=C([O-])c1cccs1
InChIInChI=1S/C6H14N2O2.C5H4O2S/c7-4-2-1-3-5(8)6(9)10;6-5(7)4-2-1-3-8-4/h5H,1-4,7-8H2,(H,9,10);1-3H,(H,6,7)
InChIKeyBMKMZHOFVCMKCC-UHFFFAOYSA-N
MW274.34 g/mol
LogP-1.08
Rot. Bonds6

About (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate

(5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate (PubChem CID 141160501) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate.

Molecular Properties

Compound Name(5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate
PubChem CID141160501
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name(5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate
SMILESNCCCCC([NH3+])C(=O)O.O=C([O-])c1cccs1
InChIInChI=1S/C6H14N2O2.C5H4O2S/c7-4-2-1-3-5(8)6(9)10;6-5(7)4-2-1-3-8-4/h5H,1-4,7-8H2,(H,9,10);1-3H,(H,6,7)
InChIKeyBMKMZHOFVCMKCC-UHFFFAOYSA-N
XLogP-1.08
TPSA131.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate 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

sodium thiophene-2-carboxylate
CID 23672340
calcium;bis(thiophene-2-carboxylate);tris(thiophene-2-carboxylic acid)
CID 158464117
4-amino-1-thiophen-2-ylbutan-1-one
CID 55267003
2-(thiophene-2-carbonyl)hexanoic acid
CID 69343472
(2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid
CID 139509790
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
2-(thiophene-2-carbonylamino)butanedioic acid
CID 18517511
[(2S)-6-amino-1-oxo-1-[[(2R)-1-phenylpropan-2-yl]amino]hexan-2-yl]azanium
CID 156803632
2-amino-3-oxo-3-thiophen-2-ylpropanoic acid
CID 23461562
(2R)-2-amino-4-oxo-4-thiophen-2-ylbutanoic acid
CID 908362
2-(11-aminoundecyl)propanedioic acid
CID 87187189
2-(7-aminoheptyl)propanedioic acid
CID 90276909

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate?
The IUPAC name of (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate (CID 141160501) is (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate.
What is the SMILES notation for (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate?
The canonical SMILES for (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate is NCCCCC([NH3+])C(=O)O.O=C([O-])c1cccs1.
What is the InChIKey of (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate?
The InChIKey is BMKMZHOFVCMKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C5H4O2S/c7-4-2-1-3-5(8)6(9)10;6-5(7)4-2-1-3-8-4/h5H,1-4,7-8H2,(H,9,10);1-3H,(H,6,7).
What are the key properties of (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate?
(5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate has a molecular weight of 274.34 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-carboxypentyl)azanium;thiophene-2-carboxylate is sourced from PubChem (CID 141160501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).