2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid

C10H17NO4S — CID 65212646

IUPAC2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid
SMILESO=CNC(CSCC1(O)CCCC1)C(=O)O
InChIInChI=1S/C10H17NO4S/c12-7-11-8(9(13)14)5-16-6-10(15)3-1-2-4-10/h7-8,15H,1-6H2,(H,11,12)(H,13,14)
InChIKeyPUAXNUCQZBJZAG-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.22
Rot. Bonds7

About 2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid

2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid (PubChem CID 65212646) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid
PubChem CID65212646
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid
SMILESO=CNC(CSCC1(O)CCCC1)C(=O)O
InChIInChI=1S/C10H17NO4S/c12-7-11-8(9(13)14)5-16-6-10(15)3-1-2-4-10/h7-8,15H,1-6H2,(H,11,12)(H,13,14)
InChIKeyPUAXNUCQZBJZAG-UHFFFAOYSA-N
XLogP0.22
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid?
The IUPAC name of 2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid (CID 65212646) is 2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid.
What is the SMILES notation for 2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid?
The canonical SMILES for 2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid is O=CNC(CSCC1(O)CCCC1)C(=O)O.
What is the InChIKey of 2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid?
The InChIKey is PUAXNUCQZBJZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c12-7-11-8(9(13)14)5-16-6-10(15)3-1-2-4-10/h7-8,15H,1-6H2,(H,11,12)(H,13,14).
What are the key properties of 2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid?
2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid has a molecular weight of 247.32 g/mol, XLogP of 0.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-[(1-hydroxycyclopentyl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 65212646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).