(2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid

C22H19ClN2O3 — CID 51987962

IUPAC(2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C22H19ClN2O3/c23-18-7-3-1-6-17(18)21-10-9-15(28-21)13-25-20(22(26)27)11-14-12-24-19-8-4-2-5-16(14)19/h1-10,12,20,24-25H,11,13H2,(H,26,27)/t20-/m1/s1
InChIKeyGVPOMJKIKPSZIP-HXUWFJFHSA-N
MW394.86 g/mol
LogP4.87
Rot. Bonds7

About (2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid

(2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid (PubChem CID 51987962) has the molecular formula C22H19ClN2O3 and a molecular weight of 394.86 g/mol. Its IUPAC name is (2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid
PubChem CID51987962
Molecular FormulaC22H19ClN2O3
Molecular Weight394.86 g/mol
Exact Mass394.11
IUPAC Name(2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid
SMILESO=C(O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C22H19ClN2O3/c23-18-7-3-1-6-17(18)21-10-9-15(28-21)13-25-20(22(26)27)11-14-12-24-19-8-4-2-5-16(14)19/h1-10,12,20,24-25H,11,13H2,(H,26,27)/t20-/m1/s1
InChIKeyGVPOMJKIKPSZIP-HXUWFJFHSA-N
XLogP4.87
TPSA78.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987888
3-[5-[[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]methyl]furan-2-yl]benzoic acid;hydrochloride
CID 17212879
(2S)-2-(benzylamino)-3-(1H-indol-3-yl)propanoic acid
CID 11483261
(2R)-3-(1H-indol-3-yl)-2-(4,5,6,7-tetrahydro-1-benzofuran-2-ylmethylamino)propanoic acid
CID 167898826
(2R)-2-[(2-chlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 2304951
(2R)-2-[(4-fluorophenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51987410
(2S)-3-(1H-indol-3-yl)-2-(2-oxopropylamino)propanoic acid
CID 175532866
2-(2-aminoethylamino)-3-(1H-indol-3-yl)propanoic acid
CID 75310465
(2S)-3-(1H-indol-3-yl)-2-(oxiran-2-ylmethylamino)propanoic acid
CID 153333033
(2S)-2-[(3,5-dichloro-4-propan-2-yloxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51997906
(2S)-2-[(3-chloro-4-methoxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 29223982
2-[[2-(2,6-dichlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 19785881

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid?
The IUPAC name of (2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid (CID 51987962) is (2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid.
What is the SMILES notation for (2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid?
The canonical SMILES for (2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid is O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of (2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid?
The InChIKey is GVPOMJKIKPSZIP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H19ClN2O3/c23-18-7-3-1-6-17(18)21-10-9-15(28-21)13-25-20(22(26)27)11-14-12-24-19-8-4-2-5-16(14)19/h1-10,12,20,24-25H,11,13H2,(H,26,27)/t20-/m1/s1.
What are the key properties of (2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid?
(2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid has a molecular weight of 394.86 g/mol, XLogP of 4.87, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]-3-(1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 51987962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).