5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid

C8H15NO4S — CID 11665727

IUPAC5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid
SMILESN[C@@H](CSCCCCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4S/c9-6(8(12)13)5-14-4-2-1-3-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyUDRYLDDILHDRIC-LURJTMIESA-N
MW221.28 g/mol
LogP0.39
Rot. Bonds8

About 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid

5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid (PubChem CID 11665727) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid.

Molecular Properties

Compound Name5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid
PubChem CID11665727
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid
SMILESN[C@@H](CSCCCCC(=O)O)C(=O)O
InChIInChI=1S/C8H15NO4S/c9-6(8(12)13)5-14-4-2-1-3-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1
InChIKeyUDRYLDDILHDRIC-LURJTMIESA-N
XLogP0.39
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-amino-3-carboxypropyl)sulfanylhexanoic acid
CID 11673234
2-amino-3-(5-hydroxypentylsulfanyl)propanoic acid
CID 14676649
(2R)-2-amino-3-(6-hydroxyhexylsulfanyl)propanoic acid
CID 14676652
(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid
CID 15813262
(2S)-2-amino-3-dodecylsulfanylpropanoic acid
CID 98447258
(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
CID 107772991
10-(9-carboxynonylsulfanyl)decanoic acid
CID 22572392
6-(5-carboxypentylsulfanyl)hexanoic acid
CID 11108146
5-(3-amino-3-oxopropyl)sulfanylpentanoic acid
CID 117097954
5-(2-methylpropylsulfanyl)pentanoic acid
CID 28982152
2-amino-3-(6,6,6-trifluorohexylsulfanyl)propanoic acid
CID 123605968
2-amino-3-[4-(diethylamino)-4-oxobutyl]sulfanylpropanoic acid
CID 43385480

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid?
The IUPAC name of 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid (CID 11665727) is 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid.
What is the SMILES notation for 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid?
The canonical SMILES for 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid is N[C@@H](CSCCCCC(=O)O)C(=O)O.
What is the InChIKey of 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid?
The InChIKey is UDRYLDDILHDRIC-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO4S/c9-6(8(12)13)5-14-4-2-1-3-7(10)11/h6H,1-5,9H2,(H,10,11)(H,12,13)/t6-/m0/s1.
What are the key properties of 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid?
5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid has a molecular weight of 221.28 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid is sourced from PubChem (CID 11665727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).