3-(aminomethyl)-5-phenylheptanoic acid

C14H21NO2 — CID 139821073

IUPAC3-(aminomethyl)-5-phenylheptanoic acid
SMILESCCC(CC(CN)CC(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-12(13-6-4-3-5-7-13)8-11(10-15)9-14(16)17/h3-7,11-12H,2,8-10,15H2,1H3,(H,16,17)
InChIKeyLVJIASHPCWSOEU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds7

About 3-(aminomethyl)-5-phenylheptanoic acid

3-(aminomethyl)-5-phenylheptanoic acid (PubChem CID 139821073) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(aminomethyl)-5-phenylheptanoic acid.

Molecular Properties

Compound Name3-(aminomethyl)-5-phenylheptanoic acid
PubChem CID139821073
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-(aminomethyl)-5-phenylheptanoic acid
SMILESCCC(CC(CN)CC(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-12(13-6-4-3-5-7-13)8-11(10-15)9-14(16)17/h3-7,11-12H,2,8-10,15H2,1H3,(H,16,17)
InChIKeyLVJIASHPCWSOEU-UHFFFAOYSA-N
XLogP2.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;3-phenylpentanoic acid
CID 142147200
(3S)-3-(aminomethyl)-5-methyl-6-phenylhexanoic acid
CID 70083704
(2R,4R)-2-methyl-4-phenylhexanoic acid
CID 134848322
2-(aminomethyl)-5-phenylheptanoic acid
CID 69271345
(3S)-3-phenylpentanoyl chloride
CID 42074098
2-methyl-4-phenylhexanoate
CID 59456763
(3R)-1,3-diphenylpentan-1-one
CID 11042799
(2S)-2-amino-4-phenylhexan-1-ol
CID 68716614
3-(aminomethyl)-5-methylhexanoic acid
CID 4715169
3,4-diphenylhexanoic acid
CID 153127747
N-(1-aminohexan-2-yl)-3-phenylpentanamide;hydrochloride
CID 119668250
2-(aminomethyl)-4-(4-phenylmethoxyphenyl)hexan-1-ol
CID 83932910

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-phenylheptanoic acid?
The IUPAC name of 3-(aminomethyl)-5-phenylheptanoic acid (CID 139821073) is 3-(aminomethyl)-5-phenylheptanoic acid.
What is the SMILES notation for 3-(aminomethyl)-5-phenylheptanoic acid?
The canonical SMILES for 3-(aminomethyl)-5-phenylheptanoic acid is CCC(CC(CN)CC(=O)O)c1ccccc1.
What is the InChIKey of 3-(aminomethyl)-5-phenylheptanoic acid?
The InChIKey is LVJIASHPCWSOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-12(13-6-4-3-5-7-13)8-11(10-15)9-14(16)17/h3-7,11-12H,2,8-10,15H2,1H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-5-phenylheptanoic acid?
3-(aminomethyl)-5-phenylheptanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-phenylheptanoic acid is sourced from PubChem (CID 139821073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).