(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid

C6H14N2O2S — CID 15813262

IUPAC(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid
SMILESNCCCSC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2S/c7-2-1-3-11-4-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKeyKLGFHUHSBPGOAU-YFKPBYRVSA-N
MW178.26 g/mol
LogP-0.52
Rot. Bonds6

About (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid

(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid (PubChem CID 15813262) has the molecular formula C6H14N2O2S and a molecular weight of 178.26 g/mol. Its IUPAC name is (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid
PubChem CID15813262
Molecular FormulaC6H14N2O2S
Molecular Weight178.26 g/mol
Exact Mass178.08
IUPAC Name(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid
SMILESNCCCSC[C@H](N)C(=O)O
InChIInChI=1S/C6H14N2O2S/c7-2-1-3-11-4-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1
InChIKeyKLGFHUHSBPGOAU-YFKPBYRVSA-N
XLogP-0.52
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic 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

2-amino-3-(2-aminoethylsulfanyl)propanoic acid chloride
CID 5458409
5-[(2R)-2-amino-2-carboxyethyl]sulfanylpentanoic acid
CID 11665727
2-amino-3-(5-hydroxypentylsulfanyl)propanoic acid
CID 14676649
(2R)-2-amino-3-(6-hydroxyhexylsulfanyl)propanoic acid
CID 14676652
(2S)-2-amino-3-dodecylsulfanylpropanoic acid
CID 98447258
(2S)-2-amino-3-(3-amino-3-oxopropyl)sulfanylpropanoic acid
CID 107772991
(2R)-2-amino-3-(4-hydroxyhexylsulfanyl)propanoic acid
CID 57060848
2-amino-3-(6,6,6-trifluorohexylsulfanyl)propanoic acid
CID 123605968
2-amino-3-[4-(diethylamino)-4-oxobutyl]sulfanylpropanoic acid
CID 43385480
2-amino-5-(2-methylpropylsulfanyl)pentanoic acid
CID 174774696
2-amino-3-(4-phenylbutylsulfanyl)propanoic acid
CID 114333733
2-amino-4-[3-(3-amino-3-carboxypropyl)sulfanylpropylsulfanyl]butanoic acid
CID 110192936

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid (CID 15813262) is (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid is NCCCSC[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid?
The InChIKey is KLGFHUHSBPGOAU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O2S/c7-2-1-3-11-4-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid?
(2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid has a molecular weight of 178.26 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3-aminopropylsulfanyl)propanoic acid is sourced from PubChem (CID 15813262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).