(2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide

C14H16N2O5 — CID 159449428

IUPAC(2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide
SMILESN[C@@H](C[C@@H](O)Cc1c[nH]c2ccccc12)C(=O)O.O=C=O
InChIInChI=1S/C13H16N2O3.CO2/c14-11(13(17)18)6-9(16)5-8-7-15-12-4-2-1-3-10(8)12;2-1-3/h1-4,7,9,11,15-16H,5-6,14H2,(H,17,18);/t9-,11-;/m0./s1
InChIKeyLTEGUFWZCXKEOG-ROLPUNSJSA-N
MW292.29 g/mol
LogP0.29
Rot. Bonds5

About (2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide

(2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide (PubChem CID 159449428) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide.

Molecular Properties

Compound Name(2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide
PubChem CID159449428
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name(2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide
SMILESN[C@@H](C[C@@H](O)Cc1c[nH]c2ccccc12)C(=O)O.O=C=O
InChIInChI=1S/C13H16N2O3.CO2/c14-11(13(17)18)6-9(16)5-8-7-15-12-4-2-1-3-10(8)12;2-1-3/h1-4,7,9,11,15-16H,5-6,14H2,(H,17,18);/t9-,11-;/m0./s1
InChIKeyLTEGUFWZCXKEOG-ROLPUNSJSA-N
XLogP0.29
TPSA133.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide?
The IUPAC name of (2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide (CID 159449428) is (2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide.
What is the SMILES notation for (2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide?
The canonical SMILES for (2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide is N[C@@H](C[C@@H](O)Cc1c[nH]c2ccccc12)C(=O)O.O=C=O.
What is the InChIKey of (2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide?
The InChIKey is LTEGUFWZCXKEOG-ROLPUNSJSA-N. The full InChI is InChI=1S/C13H16N2O3.CO2/c14-11(13(17)18)6-9(16)5-8-7-15-12-4-2-1-3-10(8)12;2-1-3/h1-4,7,9,11,15-16H,5-6,14H2,(H,17,18);/t9-,11-;/m0./s1.
What are the key properties of (2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide?
(2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide has a molecular weight of 292.29 g/mol, XLogP of 0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-amino-4-hydroxy-5-(1H-indol-3-yl)pentanoic acid;carbon dioxide is sourced from PubChem (CID 159449428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).