(2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid

C15H14N2O3 — CID 42536101

IUPAC(2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid
SMILESO=C(O)[C@H](NCc1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H14N2O3/c18-15(19)14(17-8-10-4-3-7-20-10)12-9-16-13-6-2-1-5-11(12)13/h1-7,9,14,16-17H,8H2,(H,18,19)/t14-/m1/s1
InChIKeyDMPXJPZIWVOWAV-CQSZACIVSA-N
MW270.29 g/mol
LogP2.68
Rot. Bonds5

About (2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid

(2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid (PubChem CID 42536101) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid
PubChem CID42536101
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name(2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid
SMILESO=C(O)[C@H](NCc1ccco1)c1c[nH]c2ccccc12
InChIInChI=1S/C15H14N2O3/c18-15(19)14(17-8-10-4-3-7-20-10)12-9-16-13-6-2-1-5-11(12)13/h1-7,9,14,16-17H,8H2,(H,18,19)/t14-/m1/s1
InChIKeyDMPXJPZIWVOWAV-CQSZACIVSA-N
XLogP2.68
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-indol-3-yl)-2-(4,5,6,7-tetrahydro-1-benzofuran-2-ylmethylamino)acetic acid
CID 166263876
2-(1H-indol-3-yl)-2-(methylamino)acetic acid
CID 82469928
4-(furan-2-ylmethylsulfamoyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]benzamide
CID 24599838
3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]propanamide
CID 51968356
2-[2-(cyclohexen-1-yl)ethylamino]-2-(1H-indol-3-yl)acetic acid
CID 84748341
1-(furan-2-ylmethyl)-3-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]urea
CID 95762546
N-[1-(furan-2-ylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55648130
2-(1H-indol-3-yl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetic acid;hydrate
CID 67883879
2-(furan-2-ylmethylamino)-2-(3-methylphenyl)acetic acid
CID 84750176
3-(furan-2-yl)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 25499108
N-[1-(furan-2-yl)propan-2-yl]-1H-indole-3-carboxamide
CID 61043525
2-(1H-indol-3-yl)butanedioic acid
CID 588708

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid?
The IUPAC name of (2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid (CID 42536101) is (2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid.
What is the SMILES notation for (2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid?
The canonical SMILES for (2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid is O=C(O)[C@H](NCc1ccco1)c1c[nH]c2ccccc12.
What is the InChIKey of (2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid?
The InChIKey is DMPXJPZIWVOWAV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(19)14(17-8-10-4-3-7-20-10)12-9-16-13-6-2-1-5-11(12)13/h1-7,9,14,16-17H,8H2,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid?
(2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid has a molecular weight of 270.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-ylmethylamino)-2-(1H-indol-3-yl)acetic acid is sourced from PubChem (CID 42536101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).