2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid

C15H21NO3 — CID 103466165

IUPAC2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid
SMILESCOCC(c1ccccc1)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H21NO3/c1-19-11-14(13-5-3-2-4-6-13)16(10-15(17)18)9-12-7-8-12/h2-6,12,14H,7-11H2,1H3,(H,17,18)
InChIKeyMGPDMOMTWNPESH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.17
Rot. Bonds8

About 2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid

2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid (PubChem CID 103466165) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid
PubChem CID103466165
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid
SMILESCOCC(c1ccccc1)N(CC(=O)O)CC1CC1
InChIInChI=1S/C15H21NO3/c1-19-11-14(13-5-3-2-4-6-13)16(10-15(17)18)9-12-7-8-12/h2-6,12,14H,7-11H2,1H3,(H,17,18)
InChIKeyMGPDMOMTWNPESH-UHFFFAOYSA-N
XLogP2.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid (CID 103466165) is 2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid is COCC(c1ccccc1)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid?
The InChIKey is MGPDMOMTWNPESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-19-11-14(13-5-3-2-4-6-13)16(10-15(17)18)9-12-7-8-12/h2-6,12,14H,7-11H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid?
2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-(2-methoxy-1-phenylethyl)amino]acetic acid is sourced from PubChem (CID 103466165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).