2-(aminomethyl)-5-phenylheptanoic acid

C14H21NO2 — CID 69271345

IUPAC2-(aminomethyl)-5-phenylheptanoic acid
SMILESCCC(CCC(CN)C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-11(12-6-4-3-5-7-12)8-9-13(10-15)14(16)17/h3-7,11,13H,2,8-10,15H2,1H3,(H,16,17)
InChIKeyNECMKUCRBATJGC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.62
Rot. Bonds7

About 2-(aminomethyl)-5-phenylheptanoic acid

2-(aminomethyl)-5-phenylheptanoic acid (PubChem CID 69271345) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(aminomethyl)-5-phenylheptanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-5-phenylheptanoic acid
PubChem CID69271345
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(aminomethyl)-5-phenylheptanoic acid
SMILESCCC(CCC(CN)C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-2-11(12-6-4-3-5-7-12)8-9-13(10-15)14(16)17/h3-7,11,13H,2,8-10,15H2,1H3,(H,16,17)
InChIKeyNECMKUCRBATJGC-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

2-(aminomethyl)-5-phenylhexanoic acid
CID 69269519
2-methyl-6-phenyloctan-3-one
CID 157318832
5-phenylheptan-2-amine
CID 83936540
6-phenyloctan-3-one
CID 83936524
(2S)-2-(aminomethyl)-5-ethylheptanoic acid
CID 11845860
pentan-3-ylbenzene;selenic acid
CID 175520254
5-ethyl-2-phenylheptan-1-amine
CID 82935011
3-(aminomethyl)-5-phenylheptanoic acid
CID 139821073
deuterioethyne;2-ethyl-4-phenylhexanoic acid
CID 91035178
2-(aminomethyl)-4-(2-fluorophenyl)hexanoic acid
CID 69267183
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
(2R,5R)-2-(aminomethyl)-5-methylheptanoic acid
CID 142755438

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-phenylheptanoic acid?
The IUPAC name of 2-(aminomethyl)-5-phenylheptanoic acid (CID 69271345) is 2-(aminomethyl)-5-phenylheptanoic acid.
What is the SMILES notation for 2-(aminomethyl)-5-phenylheptanoic acid?
The canonical SMILES for 2-(aminomethyl)-5-phenylheptanoic acid is CCC(CCC(CN)C(=O)O)c1ccccc1.
What is the InChIKey of 2-(aminomethyl)-5-phenylheptanoic acid?
The InChIKey is NECMKUCRBATJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-11(12-6-4-3-5-7-12)8-9-13(10-15)14(16)17/h3-7,11,13H,2,8-10,15H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-5-phenylheptanoic acid?
2-(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 2-(aminomethyl)-5-phenylheptanoic acid is sourced from PubChem (CID 69271345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).