benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate

C19H20N2O3 — CID 102380446

IUPACbenzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate
SMILESCOc1cccc2[nH]cc(C[C@@H](N)C(=O)OCc3ccccc3)c12
InChIInChI=1S/C19H20N2O3/c1-23-17-9-5-8-16-18(17)14(11-21-16)10-15(20)19(22)24-12-13-6-3-2-4-7-13/h2-9,11,15,21H,10,12,20H2,1H3/t15-/m1/s1
InChIKeyNBTFWHYLOPQFGI-OAHLLOKOSA-N
MW324.38 g/mol
LogP2.79
Rot. Bonds6

About benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate

benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate (PubChem CID 102380446) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate
PubChem CID102380446
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namebenzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate
SMILESCOc1cccc2[nH]cc(C[C@@H](N)C(=O)OCc3ccccc3)c12
InChIInChI=1S/C19H20N2O3/c1-23-17-9-5-8-16-18(17)14(11-21-16)10-15(20)19(22)24-12-13-6-3-2-4-7-13/h2-9,11,15,21H,10,12,20H2,1H3/t15-/m1/s1
InChIKeyNBTFWHYLOPQFGI-OAHLLOKOSA-N
XLogP2.79
TPSA77.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 3084617
benzyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate;hydrochloride
CID 44629900
benzyl 5-[2-amino-3-(1H-indol-3-yl)propanoyl]oxypentanoate
CID 155115353
(3,5-dimethylphenyl)methyl (2S)-2-amino-3-(1H-indol-3-yl)propanoate
CID 10041814
benzyl (2S)-2-amino-3-(2-methylphenyl)propanoate
CID 139716301
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)-1H-indol-3-yl]propanoate
CID 15172351
methyl (2S)-2-amino-3-(6-phenylmethoxy-1H-indol-3-yl)propanoate
CID 94003873
benzyl (2S,3R)-2-[bis[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoate
CID 174669600
methyl (E)-3-(4-methoxy-1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)prop-2-enoate
CID 70929343
benzyl 2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylpentanoate
CID 174582730
2-[(4-methoxy-1H-indol-3-yl)methyl]-N-methyl-3-thiophen-3-ylpropanamide
CID 67134600
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate?
The IUPAC name of benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate (CID 102380446) is benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate.
What is the SMILES notation for benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate?
The canonical SMILES for benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate is COc1cccc2[nH]cc(C[C@@H](N)C(=O)OCc3ccccc3)c12.
What is the InChIKey of benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate?
The InChIKey is NBTFWHYLOPQFGI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-23-17-9-5-8-16-18(17)14(11-21-16)10-15(20)19(22)24-12-13-6-3-2-4-7-13/h2-9,11,15,21H,10,12,20H2,1H3/t15-/m1/s1.
What are the key properties of benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate?
benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate has a molecular weight of 324.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-amino-3-(4-methoxy-1H-indol-3-yl)propanoate is sourced from PubChem (CID 102380446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).