(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide

C15H19N3O3 — CID 175865098

IUPAC(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C4H7NO/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-3(2)4(5)6/h1-4,6,9,13H,5,12H2,(H,14,15);1H2,2H3,(H2,5,6)/t9-;/m1./s1
InChIKeyFTTNVUOKUCKSNV-SBSPUUFOSA-N
MW289.34 g/mol
LogP1.17
Rot. Bonds4

About (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide

(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide (PubChem CID 175865098) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide
PubChem CID175865098
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.N[C@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C4H7NO/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-3(2)4(5)6/h1-4,6,9,13H,5,12H2,(H,14,15);1H2,2H3,(H2,5,6)/t9-;/m1./s1
InChIKeyFTTNVUOKUCKSNV-SBSPUUFOSA-N
XLogP1.17
TPSA122.20 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2-amino-3-(1H-indol-3-yl)propanoic acid;2-aminopropanoic acid
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide?
The IUPAC name of (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide (CID 175865098) is (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide.
What is the SMILES notation for (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide?
The canonical SMILES for (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide is C=C(C)C(N)=O.N[C@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide?
The InChIKey is FTTNVUOKUCKSNV-SBSPUUFOSA-N. The full InChI is InChI=1S/C11H12N2O2.C4H7NO/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-3(2)4(5)6/h1-4,6,9,13H,5,12H2,(H,14,15);1H2,2H3,(H2,5,6)/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide?
(2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide has a molecular weight of 289.34 g/mol, XLogP of 1.17, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid;2-methylprop-2-enamide is sourced from PubChem (CID 175865098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).