(2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid

C15H15N5O4 — CID 153376103

IUPAC(2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1cn[nH]n1
InChIInChI=1S/C15H15N5O4/c21-14(22)13(18-15(23)24-8-10-7-17-20-19-10)5-9-6-16-12-4-2-1-3-11(9)12/h1-4,6-7,13,16H,5,8H2,(H,18,23)(H,21,22)(H,17,19,20)/t13-/m1/s1
InChIKeyIFAJSXMZNDXDNM-CYBMUJFWSA-N
MW329.32 g/mol
LogP1.21
Rot. Bonds6

About (2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid

(2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid (PubChem CID 153376103) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is (2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid
PubChem CID153376103
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name(2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1cn[nH]n1
InChIInChI=1S/C15H15N5O4/c21-14(22)13(18-15(23)24-8-10-7-17-20-19-10)5-9-6-16-12-4-2-1-3-11(9)12/h1-4,6-7,13,16H,5,8H2,(H,18,23)(H,21,22)(H,17,19,20)/t13-/m1/s1
InChIKeyIFAJSXMZNDXDNM-CYBMUJFWSA-N
XLogP1.21
TPSA132.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(1H-indol-3-yl)-2-(naphthalen-1-ylmethoxycarbonylamino)propanoic acid
CID 54197269
(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 14160293
1H-imidazole;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 67862499
(2R)-3-(1H-indol-3-yl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 86308239
(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 6923352
(2R)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-sulfanylpropanoic acid
CID 26792976
3-(1H-indol-3-yl)-2-[[5-oxo-5-phenylmethoxy-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoic acid
CID 3832057
(2R)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 15755326
3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 22309421
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 94021235
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;hydrochloride
CID 141497197
(2S)-3-(1H-indol-3-yl)-2-[(2-iodoacetyl)amino]propanoic acid
CID 91089934

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid (CID 153376103) is (2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid is O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1cn[nH]n1.
What is the InChIKey of (2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is IFAJSXMZNDXDNM-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H15N5O4/c21-14(22)13(18-15(23)24-8-10-7-17-20-19-10)5-9-6-16-12-4-2-1-3-11(9)12/h1-4,6-7,13,16H,5,8H2,(H,18,23)(H,21,22)(H,17,19,20)/t13-/m1/s1.
What are the key properties of (2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid?
(2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 329.32 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-indol-3-yl)-2-(2H-triazol-4-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 153376103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).