(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid

C11H11ClN2O2 — CID 68889856

IUPAC(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid
SMILESN[C@@H](Cn1ccc2cc(Cl)ccc21)C(=O)O
InChIInChI=1S/C11H11ClN2O2/c12-8-1-2-10-7(5-8)3-4-14(10)6-9(13)11(15)16/h1-5,9H,6,13H2,(H,15,16)/t9-/m0/s1
InChIKeyHJDDGYSRORNUND-VIFPVBQESA-N
MW238.67 g/mol
LogP1.71
Rot. Bonds3

About (2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid

(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid (PubChem CID 68889856) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid
PubChem CID68889856
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid
SMILESN[C@@H](Cn1ccc2cc(Cl)ccc21)C(=O)O
InChIInChI=1S/C11H11ClN2O2/c12-8-1-2-10-7(5-8)3-4-14(10)6-9(13)11(15)16/h1-5,9H,6,13H2,(H,15,16)/t9-/m0/s1
InChIKeyHJDDGYSRORNUND-VIFPVBQESA-N
XLogP1.71
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-(5-chloroindol-1-yl)propanoate
CID 68851611
3-(5-chloroindol-1-yl)-2-methylpropanamide
CID 116623102
2-acetamido-3-(5-chloroindol-1-yl)propanoic acid
CID 64581311
2-amino-3-(6-methylindol-1-yl)propanoic acid
CID 65442621
(E)-but-2-enedioic acid;2-(5-chloroindol-1-yl)ethanamine
CID 18986305
2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371268
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
3-(5-chloroindol-1-yl)-2,2-dimethylpropanoic acid
CID 79628987
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
3-(5-chloroindol-1-yl)propanehydrazide
CID 63878514
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid (CID 68889856) is (2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid is N[C@@H](Cn1ccc2cc(Cl)ccc21)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid?
The InChIKey is HJDDGYSRORNUND-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-8-1-2-10-7(5-8)3-4-14(10)6-9(13)11(15)16/h1-5,9H,6,13H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid?
(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid has a molecular weight of 238.67 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid is sourced from PubChem (CID 68889856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).