[(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium

C9H14NO3S+ — CID 102299625

IUPAC[(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium
SMILES[NH3+][C@H](COCCc1ccsc1)C(=O)O
InChIInChI=1S/C9H13NO3S/c10-8(9(11)12)5-13-3-1-7-2-4-14-6-7/h2,4,6,8H,1,3,5,10H2,(H,11,12)/p+1/t8-/m1/s1
InChIKeyQDILSUGGYHUTQN-MRVPVSSYSA-O
MW216.28 g/mol
LogP0.00
Rot. Bonds6

About [(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium

[(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium (PubChem CID 102299625) has the molecular formula C9H14NO3S+ and a molecular weight of 216.28 g/mol. Its IUPAC name is [(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium
PubChem CID102299625
Molecular FormulaC9H14NO3S+
Molecular Weight216.28 g/mol
Exact Mass216.07
IUPAC Name[(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium
SMILES[NH3+][C@H](COCCc1ccsc1)C(=O)O
InChIInChI=1S/C9H13NO3S/c10-8(9(11)12)5-13-3-1-7-2-4-14-6-7/h2,4,6,8H,1,3,5,10H2,(H,11,12)/p+1/t8-/m1/s1
InChIKeyQDILSUGGYHUTQN-MRVPVSSYSA-O
XLogP0.00
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethoxy)-5-thiophen-3-ylpentan-3-one
CID 103147032
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
2-[3-(2-thiophen-3-ylethoxy)propanoylamino]prop-2-enoic acid
CID 101213474
3-[2-(3,3-diphenylpropoxy)ethyl]thiophene
CID 101402124
(2S)-2-azaniumyl-3-thiophen-3-ylpropanoate
CID 6946679
2-thiophen-3-ylethyl 2-bromo-2-methylpropanoate
CID 86077032
3-[5-(2-thiophen-3-ylethoxy)-2-pyridinyl]prop-2-enoic acid
CID 79800765
2-amino-3-methoxy-N-(2-thiophen-3-ylethyl)propanamide;hydrochloride
CID 120985605
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722
2-(2-thiophen-3-ylethylsulfanyl)butanoic acid
CID 105352892
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
1-(2-aminoethoxy)-4-thiophen-3-ylbutan-2-one
CID 116590981

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium?
The IUPAC name of [(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium (CID 102299625) is [(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium.
What is the SMILES notation for [(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium?
The canonical SMILES for [(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium is [NH3+][C@H](COCCc1ccsc1)C(=O)O.
What is the InChIKey of [(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium?
The InChIKey is QDILSUGGYHUTQN-MRVPVSSYSA-O. The full InChI is InChI=1S/C9H13NO3S/c10-8(9(11)12)5-13-3-1-7-2-4-14-6-7/h2,4,6,8H,1,3,5,10H2,(H,11,12)/p+1/t8-/m1/s1.
What are the key properties of [(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium?
[(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium has a molecular weight of 216.28 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-carboxy-2-(2-thiophen-3-ylethoxy)ethyl]azanium is sourced from PubChem (CID 102299625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).