(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

C19H18N2O5 — CID 54530999

IUPAC(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)OCc1ccccc1
InChIInChI=1S/C19H18N2O5/c22-14-6-7-16-15(9-14)13(10-20-16)8-17(18(23)24)21-19(25)26-11-12-4-2-1-3-5-12/h1-7,9-10,17,20,22H,8,11H2,(H,21,25)(H,23,24)/t17-/m1/s1
InChIKeyYWNMBFXNRAQXHP-QGZVFWFLSA-N
MW354.36 g/mol
LogP2.80
Rot. Bonds6

About (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid

(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (PubChem CID 54530999) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
PubChem CID54530999
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
SMILESO=C(N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)OCc1ccccc1
InChIInChI=1S/C19H18N2O5/c22-14-6-7-16-15(9-14)13(10-20-16)8-17(18(23)24)21-19(25)26-11-12-4-2-1-3-5-12/h1-7,9-10,17,20,22H,8,11H2,(H,21,25)(H,23,24)/t17-/m1/s1
InChIKeyYWNMBFXNRAQXHP-QGZVFWFLSA-N
XLogP2.80
TPSA111.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(1H-indol-3-yl)-2-[[(2S)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 14160293
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
(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
(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoate
CID 6923352
2-hydrazinyl-3-(5-hydroxy-1H-indol-3-yl)propanoic acid
CID 11218575
(2R)-3-(1H-indol-3-yl)-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid
CID 86308239
(2S)-3-(5-fluoro-1H-indol-3-yl)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid
CID 132552390
(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
1H-imidazole;(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 67862499
3-(5-hydroxy-1H-indol-3-yl)-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 58677416

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The IUPAC name of (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid (CID 54530999) is (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid is O=C(N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O)OCc1ccccc1.
What is the InChIKey of (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid?
The InChIKey is YWNMBFXNRAQXHP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-14-6-7-16-15(9-14)13(10-20-16)8-17(18(23)24)21-19(25)26-11-12-4-2-1-3-5-12/h1-7,9-10,17,20,22H,8,11H2,(H,21,25)(H,23,24)/t17-/m1/s1.
What are the key properties of (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid?
(2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid has a molecular weight of 354.36 g/mol, XLogP of 2.80, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(5-hydroxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 54530999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).