(2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid

C25H24N2O3 — CID 54203578

IUPAC(2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid
SMILESCOc1ccc2[nH]cc(C(Cc3ccccc3)N[C@@H](C(=O)O)c3ccccc3)c2c1
InChIInChI=1S/C25H24N2O3/c1-30-19-12-13-22-20(15-19)21(16-26-22)23(14-17-8-4-2-5-9-17)27-24(25(28)29)18-10-6-3-7-11-18/h2-13,15-16,23-24,26-27H,14H2,1H3,(H,28,29)/t23?,24-/m1/s1
InChIKeyPQYCUIDHWIHAIP-XMMISQBUSA-N
MW400.48 g/mol
LogP4.88
Rot. Bonds8

About (2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid

(2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid (PubChem CID 54203578) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is (2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid
PubChem CID54203578
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name(2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid
SMILESCOc1ccc2[nH]cc(C(Cc3ccccc3)N[C@@H](C(=O)O)c3ccccc3)c2c1
InChIInChI=1S/C25H24N2O3/c1-30-19-12-13-22-20(15-19)21(16-26-22)23(14-17-8-4-2-5-9-17)27-24(25(28)29)18-10-6-3-7-11-18/h2-13,15-16,23-24,26-27H,14H2,1H3,(H,28,29)/t23?,24-/m1/s1
InChIKeyPQYCUIDHWIHAIP-XMMISQBUSA-N
XLogP4.88
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[6-(5-methoxy-1H-indol-3-yl)-6-(4-methoxyphenyl)-4-oxohexanoyl]amino]-3-phenylpropanoic acid
CID 25141304
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
N-[1-(5-methoxy-1H-indol-3-yl)propyl]propanamide
CID 175009120
N-[(R)-(5-methoxy-1H-indol-3-yl)-phenylmethyl]benzenesulfonamide
CID 141133880
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680
5-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
CID 93117865
5-methoxy-3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 93117864
phenyl 2-[[1-(1H-indol-3-yl)-2-phenylethyl]amino]propanoate
CID 54371151
N-benzyl-3-(5-methoxy-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 83284963
N-[(2R)-2-hydroxy-3-phenylpropyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 95598350
ethyl (2S)-2-[[2-(5-methoxy-1H-indol-3-yl)-2-oxoacetyl]amino]-3-phenylpropanoate
CID 14541515
2-(4-benzylpiperidin-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetic acid
CID 42651859

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid (CID 54203578) is (2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid is COc1ccc2[nH]cc(C(Cc3ccccc3)N[C@@H](C(=O)O)c3ccccc3)c2c1.
What is the InChIKey of (2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid?
The InChIKey is PQYCUIDHWIHAIP-XMMISQBUSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-30-19-12-13-22-20(15-19)21(16-26-22)23(14-17-8-4-2-5-9-17)27-24(25(28)29)18-10-6-3-7-11-18/h2-13,15-16,23-24,26-27H,14H2,1H3,(H,28,29)/t23?,24-/m1/s1.
What are the key properties of (2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid?
(2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid has a molecular weight of 400.48 g/mol, XLogP of 4.88, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(5-methoxy-1H-indol-3-yl)-2-phenylethyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 54203578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).