2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid

C14H22N2O2 — CID 106487984

IUPAC2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid
SMILESCCCC(CN)(CCc1ccccc1N)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-2-8-14(10-15,13(17)18)9-7-11-5-3-4-6-12(11)16/h3-6H,2,7-10,15-16H2,1H3,(H,17,18)
InChIKeyUNTWZRVTSNXNOP-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.03
Rot. Bonds7

About 2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid

2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid (PubChem CID 106487984) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid
PubChem CID106487984
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid
SMILESCCCC(CN)(CCc1ccccc1N)C(=O)O
InChIInChI=1S/C14H22N2O2/c1-2-8-14(10-15,13(17)18)9-7-11-5-3-4-6-12(11)16/h3-6H,2,7-10,15-16H2,1H3,(H,17,18)
InChIKeyUNTWZRVTSNXNOP-UHFFFAOYSA-N
XLogP2.03
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-2-[(1-methylindazol-3-yl)methyl]pentanoic acid
CID 106488013
2-[(5-amino-2-methoxyphenyl)methyl]-2-(aminomethyl)pentanoic acid
CID 106488025
3-(2-aminophenyl)-N-(3-ethylpentan-3-yl)propanamide
CID 65042808
2,2-bis(furan-2-ylmethyl)pentanoic acid
CID 174666609
2-ethylaniline;propane
CID 143529464
ethane;2-ethylaniline
CID 90841248
3-(2-aminophenyl)-N-(2,2-diethylbutyl)propanamide;hydrochloride
CID 120611896
2-(2-aminoethyl)aniline;ethane
CID 90745291
2-tetradecylaniline
CID 22218918
2-(aminomethyl)-2-octyldecanoic acid
CID 54024199
2-(aminomethyl)-N-(1-phenylpropyl)-2-propylpentanamide
CID 62305900
2-(aminomethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pentanoic acid
CID 106488040

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid?
The IUPAC name of 2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid (CID 106487984) is 2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid is CCCC(CN)(CCc1ccccc1N)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid?
The InChIKey is UNTWZRVTSNXNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-8-14(10-15,13(17)18)9-7-11-5-3-4-6-12(11)16/h3-6H,2,7-10,15-16H2,1H3,(H,17,18).
What are the key properties of 2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid?
2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid has a molecular weight of 250.34 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[2-(2-aminophenyl)ethyl]pentanoic acid is sourced from PubChem (CID 106487984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).