2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid

C10H14ClNO2S — CID 112518605

IUPAC2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid
SMILESNC(CCCCc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C10H14ClNO2S/c11-9-6-5-7(15-9)3-1-2-4-8(12)10(13)14/h5-6,8H,1-4,12H2,(H,13,14)
InChIKeyJHXPGQNTCIKIMU-UHFFFAOYSA-N
MW247.75 g/mol
LogP2.53
Rot. Bonds6

About 2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid

2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid (PubChem CID 112518605) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid
PubChem CID112518605
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid
SMILESNC(CCCCc1ccc(Cl)s1)C(=O)O
InChIInChI=1S/C10H14ClNO2S/c11-9-6-5-7(15-9)3-1-2-4-8(12)10(13)14/h5-6,8H,1-4,12H2,(H,13,14)
InChIKeyJHXPGQNTCIKIMU-UHFFFAOYSA-N
XLogP2.53
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 52.53
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

6-(5-chlorothiophen-2-yl)hexanoic acid
CID 43446917
9-(5-chlorothiophen-2-yl)nonanoate
CID 7038793
(2S)-2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 103630177
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2-amino-7-phenylheptanoic acid
CID 85132413
5-(5-chlorothiophen-2-yl)pentan-2-ol
CID 64515785
2-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-hydroxypropanamide
CID 115180056
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N-methylhexanamide
CID 93367881
4-amino-1-(5-chlorothiophen-2-yl)pentan-3-ol
CID 83934932
2-[4-(5-chlorothiophen-2-yl)butyl]guanidine
CID 95448839
3-[4-(5-chlorothiophen-2-yl)butylcarbamoylamino]propanoic acid
CID 122013691

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid?
The IUPAC name of 2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid (CID 112518605) is 2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid.
What is the SMILES notation for 2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid?
The canonical SMILES for 2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid is NC(CCCCc1ccc(Cl)s1)C(=O)O.
What is the InChIKey of 2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid?
The InChIKey is JHXPGQNTCIKIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2S/c11-9-6-5-7(15-9)3-1-2-4-8(12)10(13)14/h5-6,8H,1-4,12H2,(H,13,14).
What are the key properties of 2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid?
2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid has a molecular weight of 247.75 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-chlorothiophen-2-yl)hexanoic acid is sourced from PubChem (CID 112518605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).