2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane

C15H20N2O2 — CID 175493504

IUPAC2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane
SMILESCC1CC1.NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C4H8/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-4-2-3-4/h1-4,6,9,13H,5,12H2,(H,14,15);4H,2-3H2,1H3
InChIKeyCXYNMQBRFIIFOU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.54
Rot. Bonds3

About 2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane

2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane (PubChem CID 175493504) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane.

Molecular Properties

Compound Name2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane
PubChem CID175493504
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane
SMILESCC1CC1.NC(Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C11H12N2O2.C4H8/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-4-2-3-4/h1-4,6,9,13H,5,12H2,(H,14,15);4H,2-3H2,1H3
InChIKeyCXYNMQBRFIIFOU-UHFFFAOYSA-N
XLogP2.54
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane?
The IUPAC name of 2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane (CID 175493504) is 2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane.
What is the SMILES notation for 2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane?
The canonical SMILES for 2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane is CC1CC1.NC(Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of 2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane?
The InChIKey is CXYNMQBRFIIFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.C4H8/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-4-2-3-4/h1-4,6,9,13H,5,12H2,(H,14,15);4H,2-3H2,1H3.
What are the key properties of 2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane?
2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane has a molecular weight of 260.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-indol-3-yl)propanoic acid;methylcyclopropane is sourced from PubChem (CID 175493504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).