(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate

C14H15N2O4- — CID 7678364

IUPAC(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
SMILESC[C@H](O)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-]
InChIInChI=1S/C14H16N2O4/c1-8(17)13(14(19)20)16-12(18)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,13,15,17H,6H2,1H3,(H,16,18)(H,19,20)/p-1/t8-,13-/m0/s1
InChIKeyBCHACWAJZOMXHR-SDBXPKJASA-M
MW275.28 g/mol
LogP-0.67
Rot. Bonds5

About (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate

(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate (PubChem CID 7678364) has the molecular formula C14H15N2O4- and a molecular weight of 275.28 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
PubChem CID7678364
Molecular FormulaC14H15N2O4-
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Name(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate
SMILESC[C@H](O)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-]
InChIInChI=1S/C14H16N2O4/c1-8(17)13(14(19)20)16-12(18)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,13,15,17H,6H2,1H3,(H,16,18)(H,19,20)/p-1/t8-,13-/m0/s1
InChIKeyBCHACWAJZOMXHR-SDBXPKJASA-M
XLogP-0.67
TPSA105.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate with MolForge

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Related Compounds

(2S,3R)-3-hydroxy-2-[4-(1H-indol-3-yl)butanoylamino]butanoate
CID 7678933
(2S)-3-(1H-indol-3-yl)-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 7033653
N-[(2S)-2-hydroxypropyl]-2-(1H-indol-3-yl)acetamide
CID 39248120
N-but-3-yn-2-yl-2-(1H-indol-3-yl)acetamide
CID 114389821
S-sulfanyl (2S,3S)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanethioate
CID 147372892
(2S)-5-amino-2-[[2-(1H-indol-3-yl)acetyl]amino]-5-oxopentanoate
CID 7097451
2-(1H-indol-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 17427007
2-(1H-indol-3-yl)-N-(4-methylsulfinylbutan-2-yl)acetamide
CID 115667804
N-(1-ethoxypropan-2-yl)-2-(1H-indol-3-yl)acetamide
CID 47903557
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-2-(1H-indol-3-yl)acetamide
CID 95308809
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
2-(1H-indol-3-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103716224

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate?
The IUPAC name of (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate (CID 7678364) is (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate.
What is the SMILES notation for (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate?
The canonical SMILES for (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate is C[C@H](O)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-].
What is the InChIKey of (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate?
The InChIKey is BCHACWAJZOMXHR-SDBXPKJASA-M. The full InChI is InChI=1S/C14H16N2O4/c1-8(17)13(14(19)20)16-12(18)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7-8,13,15,17H,6H2,1H3,(H,16,18)(H,19,20)/p-1/t8-,13-/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate?
(2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate has a molecular weight of 275.28 g/mol, XLogP of -0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]butanoate is sourced from PubChem (CID 7678364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).