2-amino-2-sulfanylpentanoate

C5H10NO2S- — CID 20849030

IUPAC2-amino-2-sulfanylpentanoate
SMILESCCCC(N)(S)C(=O)[O-]
InChIInChI=1S/C5H11NO2S/c1-2-3-5(6,9)4(7)8/h9H,2-3,6H2,1H3,(H,7,8)/p-1
InChIKeyZVWLOELKXCXZCT-UHFFFAOYSA-M
MW148.21 g/mol
LogP-0.88
Rot. Bonds3

About 2-amino-2-sulfanylpentanoate

2-amino-2-sulfanylpentanoate (PubChem CID 20849030) has the molecular formula C5H10NO2S- and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-amino-2-sulfanylpentanoate.

Molecular Properties

Compound Name2-amino-2-sulfanylpentanoate
PubChem CID20849030
Molecular FormulaC5H10NO2S-
Molecular Weight148.21 g/mol
Exact Mass148.04
IUPAC Name2-amino-2-sulfanylpentanoate
SMILESCCCC(N)(S)C(=O)[O-]
InChIInChI=1S/C5H11NO2S/c1-2-3-5(6,9)4(7)8/h9H,2-3,6H2,1H3,(H,7,8)/p-1
InChIKeyZVWLOELKXCXZCT-UHFFFAOYSA-M
XLogP-0.88
TPSA66.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-acetyl-2-sulfanylpentanoate
CID 23220781
(2S)-2-amino-2-(sulfanylmethyl)pentanoic acid
CID 87814836
lithium;sodium;2,2-dipropylpropanedioate
CID 139411996
silver 2,2-dimethylpentanoate
CID 121375132
(2S)-2-ethyl-2-methylpentanoate
CID 86306121
2-ethyl-2-hydroxypentanoate
CID 18183072
2-amino-2-sulfanylbutanoic acid
CID 18369133
2-amino-2-methylsulfanylpentanoic acid
CID 175192194
disodium;2-propan-2-yl-2-propylpropanedioate
CID 139411756
lithium;potassium;2-tert-butyl-2-propylpropanedioate
CID 139411179
silver 2-methyl-2-propylhexanoate
CID 175204967
3-amino-3-propylhexanoic acid
CID 64665150

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-sulfanylpentanoate?
The IUPAC name of 2-amino-2-sulfanylpentanoate (CID 20849030) is 2-amino-2-sulfanylpentanoate.
What is the SMILES notation for 2-amino-2-sulfanylpentanoate?
The canonical SMILES for 2-amino-2-sulfanylpentanoate is CCCC(N)(S)C(=O)[O-].
What is the InChIKey of 2-amino-2-sulfanylpentanoate?
The InChIKey is ZVWLOELKXCXZCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2S/c1-2-3-5(6,9)4(7)8/h9H,2-3,6H2,1H3,(H,7,8)/p-1.
What are the key properties of 2-amino-2-sulfanylpentanoate?
2-amino-2-sulfanylpentanoate has a molecular weight of 148.21 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-sulfanylpentanoate is sourced from PubChem (CID 20849030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).