5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid

C9H19NO2S — CID 103266088

IUPAC5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid
SMILESCSCC(C)NCCCCC(=O)O
InChIInChI=1S/C9H19NO2S/c1-8(7-13-2)10-6-4-3-5-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyLNZMMSPAWJJLFO-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.58
Rot. Bonds8

About 5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid

5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid (PubChem CID 103266088) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid
PubChem CID103266088
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid
SMILESCSCC(C)NCCCCC(=O)O
InChIInChI=1S/C9H19NO2S/c1-8(7-13-2)10-6-4-3-5-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyLNZMMSPAWJJLFO-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.58
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

5-(5-methylhexan-2-ylamino)pentanoic acid
CID 103252184
7-[(2-methyl-3-methylsulfanylpropanoyl)amino]heptanoic acid
CID 119227388
4-(1-hydroxypropan-2-ylamino)butanoic acid
CID 43499958
5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 103250470
octadecanoic acid;N-propan-2-ylpentadecan-1-amine
CID 174971030
3-[(5-amino-5-oxopentyl)amino]butanoic acid
CID 106237220
formaldehyde;methanol;18-(pentylamino)nonadecanoic acid
CID 145026869
7-(4-methylsulfanylbutan-2-ylcarbamoylamino)heptanoic acid
CID 113477968
5-(3-methylsulfanylpropylamino)pentanoic acid
CID 103251996
5-[[1-(dimethylamino)-4-methylpentan-2-yl]amino]pentanoic acid
CID 103244197
5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
CID 103262467
(10R)-10-(2-hydroxyethylamino)undecanoic acid
CID 102119671

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid?
The IUPAC name of 5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid (CID 103266088) is 5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid is CSCC(C)NCCCCC(=O)O.
What is the InChIKey of 5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid?
The InChIKey is LNZMMSPAWJJLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-8(7-13-2)10-6-4-3-5-9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid?
5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid has a molecular weight of 205.32 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfanylpropan-2-ylamino)pentanoic acid is sourced from PubChem (CID 103266088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).