2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid

C14H18FNO3 — CID 104792711

IUPAC2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1cccc(CN(CC(=O)O)CC2CC2)c1F
InChIInChI=1S/C14H18FNO3/c1-19-12-4-2-3-11(14(12)15)8-16(9-13(17)18)7-10-5-6-10/h2-4,10H,5-9H2,1H3,(H,17,18)
InChIKeyLHGOYFSPJINRQG-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.13
Rot. Bonds7

About 2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid

2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid (PubChem CID 104792711) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid
PubChem CID104792711
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid
SMILESCOc1cccc(CN(CC(=O)O)CC2CC2)c1F
InChIInChI=1S/C14H18FNO3/c1-19-12-4-2-3-11(14(12)15)8-16(9-13(17)18)7-10-5-6-10/h2-4,10H,5-9H2,1H3,(H,17,18)
InChIKeyLHGOYFSPJINRQG-UHFFFAOYSA-N
XLogP2.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-cyanophenyl)methyl-(cyclopropylmethyl)amino]acetic acid
CID 43656617
methyl 2-[(2-fluoro-3-methoxyphenyl)methyl-propylamino]acetate
CID 104794477
3-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoic acid
CID 107119511
2-[benzyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 39385257
2-[cyclopropylmethyl-[(2,4,5-trimethylphenyl)methyl]amino]acetic acid
CID 114078379
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
1-cyclopentyl-3-(2-fluoro-3-methoxyphenyl)propan-2-one
CID 115800128
4-[(2-fluoro-3-methoxyphenyl)methyl-methylamino]butanoic acid
CID 113453649
4-[[(2-fluoro-3-methoxyphenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 104792773
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-(piperidin-2-ylmethyl)ethanamine
CID 106632656
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]acetic acid
CID 104792774

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid (CID 104792711) is 2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid is COc1cccc(CN(CC(=O)O)CC2CC2)c1F.
What is the InChIKey of 2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid?
The InChIKey is LHGOYFSPJINRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-12-4-2-3-11(14(12)15)8-16(9-13(17)18)7-10-5-6-10/h2-4,10H,5-9H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid?
2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid has a molecular weight of 267.30 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 104792711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).