(2R)-2-amino-3-sulfanylpropanoic acid;1H-indole

C11H14N2O2S — CID 163856546

IUPAC(2R)-2-amino-3-sulfanylpropanoic acid;1H-indole
SMILESN[C@@H](CS)C(=O)O.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C3H7NO2S/c1-2-4-8-7(3-1)5-6-9-8;4-2(1-7)3(5)6/h1-6,9H;2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1
InChIKeyOYUCWYBAHUTYSV-WNQIDUERSA-N
MW238.31 g/mol
LogP1.50
Rot. Bonds2

About (2R)-2-amino-3-sulfanylpropanoic acid;1H-indole

(2R)-2-amino-3-sulfanylpropanoic acid;1H-indole (PubChem CID 163856546) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is (2R)-2-amino-3-sulfanylpropanoic acid;1H-indole.

Molecular Properties

Compound Name(2R)-2-amino-3-sulfanylpropanoic acid;1H-indole
PubChem CID163856546
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name(2R)-2-amino-3-sulfanylpropanoic acid;1H-indole
SMILESN[C@@H](CS)C(=O)O.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C3H7NO2S/c1-2-4-8-7(3-1)5-6-9-8;4-2(1-7)3(5)6/h1-6,9H;2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1
InChIKeyOYUCWYBAHUTYSV-WNQIDUERSA-N
XLogP1.50
TPSA79.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

carbamic acid;1H-indole
CID 66672708
2-aminoacetic acid;1H-indole
CID 118109552
acetic acid;bis(1H-indole)
CID 162014067
acetic acid;1H-indole
CID 67663544
1H-indole;propan-2-amine
CID 172785583
hydroxyurea;1H-indole
CID 19379049
1H-indole;oxozinc
CID 174920230
bis(1H-indole);methanol
CID 70305490
1H-indole;dihydrochloride
CID 18796541
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
2-amino-3-sulfanylpropanoic acid
CID 21459566

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;1H-indole?
The IUPAC name of (2R)-2-amino-3-sulfanylpropanoic acid;1H-indole (CID 163856546) is (2R)-2-amino-3-sulfanylpropanoic acid;1H-indole.
What is the SMILES notation for (2R)-2-amino-3-sulfanylpropanoic acid;1H-indole?
The canonical SMILES for (2R)-2-amino-3-sulfanylpropanoic acid;1H-indole is N[C@@H](CS)C(=O)O.c1ccc2[nH]ccc2c1.
What is the InChIKey of (2R)-2-amino-3-sulfanylpropanoic acid;1H-indole?
The InChIKey is OYUCWYBAHUTYSV-WNQIDUERSA-N. The full InChI is InChI=1S/C8H7N.C3H7NO2S/c1-2-4-8-7(3-1)5-6-9-8;4-2(1-7)3(5)6/h1-6,9H;2,7H,1,4H2,(H,5,6)/t;2-/m.0/s1.
What are the key properties of (2R)-2-amino-3-sulfanylpropanoic acid;1H-indole?
(2R)-2-amino-3-sulfanylpropanoic acid;1H-indole has a molecular weight of 238.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-sulfanylpropanoic acid;1H-indole is sourced from PubChem (CID 163856546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).