2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid

C14H18N2O3 — CID 119203001

IUPAC2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
SMILESCc1ccc(CC(=O)N(C2CC2)C(C)C(=O)O)cn1
InChIInChI=1S/C14H18N2O3/c1-9-3-4-11(8-15-9)7-13(17)16(12-5-6-12)10(2)14(18)19/h3-4,8,10,12H,5-7H2,1-2H3,(H,18,19)
InChIKeyHBEOILODUHWPEF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.40
Rot. Bonds5

About 2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid

2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid (PubChem CID 119203001) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
PubChem CID119203001
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid
SMILESCc1ccc(CC(=O)N(C2CC2)C(C)C(=O)O)cn1
InChIInChI=1S/C14H18N2O3/c1-9-3-4-11(8-15-9)7-13(17)16(12-5-6-12)10(2)14(18)19/h3-4,8,10,12H,5-7H2,1-2H3,(H,18,19)
InChIKeyHBEOILODUHWPEF-UHFFFAOYSA-N
XLogP1.40
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid (CID 119203001) is 2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid is Cc1ccc(CC(=O)N(C2CC2)C(C)C(=O)O)cn1.
What is the InChIKey of 2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid?
The InChIKey is HBEOILODUHWPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-3-4-11(8-15-9)7-13(17)16(12-5-6-12)10(2)14(18)19/h3-4,8,10,12H,5-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid?
2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119203001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).