3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid

C14H18FNO2 — CID 126835331

IUPAC3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccccc1F)CC1CC1
InChIInChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)10-16(8-7-14(17)18)9-11-5-6-11/h1-4,11H,5-10H2,(H,17,18)
InChIKeyWMZKXTWKWYAYLF-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.51
Rot. Bonds7

About 3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid

3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid (PubChem CID 126835331) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid
PubChem CID126835331
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid
SMILESO=C(O)CCN(Cc1ccccc1F)CC1CC1
InChIInChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)10-16(8-7-14(17)18)9-11-5-6-11/h1-4,11H,5-10H2,(H,17,18)
InChIKeyWMZKXTWKWYAYLF-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-carboxyethyl-[(2-fluorophenyl)methyl]amino]-2-methylpropanoic acid
CID 82327787
3-[(2-fluorophenyl)methyl-(3-methylbut-2-enoyl)amino]propanoic acid
CID 82326205
3-[acetyl-[(2-fluorophenyl)methyl]amino]propanoic acid
CID 82044377
methyl 3-[(2-fluorophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 78964080
2-[(2-fluorophenyl)methyl-[[(3R)-oxan-3-yl]methyl]amino]ethanol
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3-[cyclopentyl-[2-(2-fluorophenyl)ethyl]amino]propanoic acid
CID 119135037
3-[cyclopropylmethyl(ethyl)amino]-1-(2-fluorophenyl)propan-1-one
CID 63956709
N-(cyclopropylmethyl)-N-[(2,5-difluorophenyl)methyl]-2-phenylethanamine
CID 23967601
3-[N-[(2-fluorophenyl)methyl]-2,6-dimethylanilino]propanoic acid
CID 82317455
N-(cyclopropylmethyl)-3-(2-fluorophenyl)-N-methylpropanamide
CID 94158892
2-[cyclopropylmethyl-[(2-fluoro-3-methoxyphenyl)methyl]amino]acetic acid
CID 104792711
3-[[cyclopropylmethyl(ethyl)amino]methyl]-2-fluorobenzoic acid
CID 107119511

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid (CID 126835331) is 3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid is O=C(O)CCN(Cc1ccccc1F)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid?
The InChIKey is WMZKXTWKWYAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)10-16(8-7-14(17)18)9-11-5-6-11/h1-4,11H,5-10H2,(H,17,18).
What are the key properties of 3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid?
3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid has a molecular weight of 251.30 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-[(2-fluorophenyl)methyl]amino]propanoic acid is sourced from PubChem (CID 126835331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).