2-amino-5-(2-methylpropylsulfanyl)pentanoic acid

C9H19NO2S — CID 174774696

IUPAC2-amino-5-(2-methylpropylsulfanyl)pentanoic acid
SMILESCC(C)CSCCCC(N)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-7(2)6-13-5-3-4-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyPJDFINLVYHDFGP-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.57
Rot. Bonds7

About 2-amino-5-(2-methylpropylsulfanyl)pentanoic acid

2-amino-5-(2-methylpropylsulfanyl)pentanoic acid (PubChem CID 174774696) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 2-amino-5-(2-methylpropylsulfanyl)pentanoic acid.

Molecular Properties

Compound Name2-amino-5-(2-methylpropylsulfanyl)pentanoic acid
PubChem CID174774696
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name2-amino-5-(2-methylpropylsulfanyl)pentanoic acid
SMILESCC(C)CSCCCC(N)C(=O)O
InChIInChI=1S/C9H19NO2S/c1-7(2)6-13-5-3-4-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)
InChIKeyPJDFINLVYHDFGP-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.57
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

(2S)-2-amino-4-(4-methylpentylsulfanyl)butanoic acid
CID 134212604
(2R)-2-amino-3-(4-hydroxyhexylsulfanyl)propanoic acid
CID 57060848
2-amino-4-[3-(3-amino-3-carboxypropyl)sulfanylpropylsulfanyl]butanoic acid
CID 110192936
2-amino-21-methyldocosanoic acid
CID 10926747
2-[[(3S)-3-amino-3-carboxypropyl]sulfanylmethyl]propanedioic acid
CID 87535505
(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid
CID 15813262
5-(2-methylpropylsulfanyl)pentanoic acid
CID 28982152
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-3-dodecylsulfanylpropanoic acid
CID 98447258
5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid
CID 11665727
(2R)-2-amino-5-methylhexanoic acid
CID 40537121

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methylpropylsulfanyl)pentanoic acid?
The IUPAC name of 2-amino-5-(2-methylpropylsulfanyl)pentanoic acid (CID 174774696) is 2-amino-5-(2-methylpropylsulfanyl)pentanoic acid.
What is the SMILES notation for 2-amino-5-(2-methylpropylsulfanyl)pentanoic acid?
The canonical SMILES for 2-amino-5-(2-methylpropylsulfanyl)pentanoic acid is CC(C)CSCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-5-(2-methylpropylsulfanyl)pentanoic acid?
The InChIKey is PJDFINLVYHDFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7(2)6-13-5-3-4-8(10)9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12).
What are the key properties of 2-amino-5-(2-methylpropylsulfanyl)pentanoic acid?
2-amino-5-(2-methylpropylsulfanyl)pentanoic acid has a molecular weight of 205.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methylpropylsulfanyl)pentanoic acid is sourced from PubChem (CID 174774696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).