(2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid

C9H16N4O2 — CID 137348820

IUPAC(2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid
SMILESCCc1cn(CCC[C@H](N)C(=O)O)nn1
InChIInChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyTVRCAVYCEUWWJW-QMMMGPOBSA-N
MW212.25 g/mol
LogP0.03
Rot. Bonds6

About (2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid

(2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid (PubChem CID 137348820) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid
PubChem CID137348820
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name(2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid
SMILESCCc1cn(CCC[C@H](N)C(=O)O)nn1
InChIInChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyTVRCAVYCEUWWJW-QMMMGPOBSA-N
XLogP0.03
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid?
The IUPAC name of (2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid (CID 137348820) is (2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid is CCc1cn(CCC[C@H](N)C(=O)O)nn1.
What is the InChIKey of (2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid?
The InChIKey is TVRCAVYCEUWWJW-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-7-6-13(12-11-7)5-3-4-8(10)9(14)15/h6,8H,2-5,10H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid?
(2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid has a molecular weight of 212.25 g/mol, XLogP of 0.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-(4-ethyltriazol-1-yl)pentanoic acid is sourced from PubChem (CID 137348820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).