5-aminopentanoic acid;4-methylsulfanylbutanoic acid

C10H21NO4S — CID 170707208

IUPAC5-aminopentanoic acid;4-methylsulfanylbutanoic acid
SMILESCSCCCC(=O)O.NCCCCC(=O)O
InChIInChI=1S/C5H11NO2.C5H10O2S/c6-4-2-1-3-5(7)8;1-8-4-2-3-5(6)7/h1-4,6H2,(H,7,8);2-4H2,1H3,(H,6,7)
InChIKeyFUPPGNKBXPLSKI-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.41
Rot. Bonds8

About 5-aminopentanoic acid;4-methylsulfanylbutanoic acid

5-aminopentanoic acid;4-methylsulfanylbutanoic acid (PubChem CID 170707208) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 5-aminopentanoic acid;4-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name5-aminopentanoic acid;4-methylsulfanylbutanoic acid
PubChem CID170707208
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name5-aminopentanoic acid;4-methylsulfanylbutanoic acid
SMILESCSCCCC(=O)O.NCCCCC(=O)O
InChIInChI=1S/C5H11NO2.C5H10O2S/c6-4-2-1-3-5(7)8;1-8-4-2-3-5(6)7/h1-4,6H2,(H,7,8);2-4H2,1H3,(H,6,7)
InChIKeyFUPPGNKBXPLSKI-UHFFFAOYSA-N
XLogP1.41
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-methylsulfanylbutanoic acid;5-aminopentanoic acid
CID 174693181
11-aminoundecanoic acid;ethane
CID 144914161
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-aminohexanoic acid;ethane;molecular hydrogen
CID 143775887
6-aminohexanoic acid;zinc
CID 175049463
12-aminododecanoic acid;hydrochloride
CID 12651573
azane;decanedioic acid;hexane-1,6-diamine;hexanedioic acid
CID 173314981
12-aminododecanoic acid;carbamic acid
CID 157488032
6-aminohexanoic acid;3-aminopropanoic acid
CID 87186200
acetylene;6-aminohexanoic acid
CID 143110448
icosan-1-amine;octadecanoic acid
CID 174740583

Frequently Asked Questions

What is the IUPAC name of 5-aminopentanoic acid;4-methylsulfanylbutanoic acid?
The IUPAC name of 5-aminopentanoic acid;4-methylsulfanylbutanoic acid (CID 170707208) is 5-aminopentanoic acid;4-methylsulfanylbutanoic acid.
What is the SMILES notation for 5-aminopentanoic acid;4-methylsulfanylbutanoic acid?
The canonical SMILES for 5-aminopentanoic acid;4-methylsulfanylbutanoic acid is CSCCCC(=O)O.NCCCCC(=O)O.
What is the InChIKey of 5-aminopentanoic acid;4-methylsulfanylbutanoic acid?
The InChIKey is FUPPGNKBXPLSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C5H10O2S/c6-4-2-1-3-5(7)8;1-8-4-2-3-5(6)7/h1-4,6H2,(H,7,8);2-4H2,1H3,(H,6,7).
What are the key properties of 5-aminopentanoic acid;4-methylsulfanylbutanoic acid?
5-aminopentanoic acid;4-methylsulfanylbutanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-aminopentanoic acid;4-methylsulfanylbutanoic acid is sourced from PubChem (CID 170707208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).