2-(1-phenylpropan-2-ylamino)hexanoic acid

C15H23NO2 — CID 103250487

IUPAC2-(1-phenylpropan-2-ylamino)hexanoic acid
SMILESCCCCC(NC(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO2/c1-3-4-10-14(15(17)18)16-12(2)11-13-8-6-5-7-9-13/h5-9,12,14,16H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyUSRCBYHXYUARIV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.85
Rot. Bonds8

About 2-(1-phenylpropan-2-ylamino)hexanoic acid

2-(1-phenylpropan-2-ylamino)hexanoic acid (PubChem CID 103250487) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-(1-phenylpropan-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name2-(1-phenylpropan-2-ylamino)hexanoic acid
PubChem CID103250487
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-(1-phenylpropan-2-ylamino)hexanoic acid
SMILESCCCCC(NC(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H23NO2/c1-3-4-10-14(15(17)18)16-12(2)11-13-8-6-5-7-9-13/h5-9,12,14,16H,3-4,10-11H2,1-2H3,(H,17,18)
InChIKeyUSRCBYHXYUARIV-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-phenylpentan-2-ylamino)hexanoic acid
CID 122039601
N-(1-phenylpropan-2-yl)hexan-2-amine
CID 63012254
2-(hexan-2-ylcarbamoylamino)-3-phenylpropanoic acid
CID 62201005
2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
2-[1-(4-aminophenyl)propan-2-ylamino]pentanoic acid
CID 82257201
1-phenyl-2-(1-phenylpropan-2-ylamino)pentan-1-one;hydrochloride
CID 22297830
2-(pentan-2-ylamino)hexanoic acid
CID 103231809
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-phenylpropanoic acid
CID 122037636
(2S)-2-(5-methylhexan-2-ylamino)-3-phenylpropanoic acid
CID 122037626
(2S)-2-[4-[3-(trifluoromethyl)phenyl]butan-2-ylamino]hexanoic acid
CID 122044784
2-(1-carboxypentylamino)hexanoic acid
CID 22643835

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropan-2-ylamino)hexanoic acid?
The IUPAC name of 2-(1-phenylpropan-2-ylamino)hexanoic acid (CID 103250487) is 2-(1-phenylpropan-2-ylamino)hexanoic acid.
What is the SMILES notation for 2-(1-phenylpropan-2-ylamino)hexanoic acid?
The canonical SMILES for 2-(1-phenylpropan-2-ylamino)hexanoic acid is CCCCC(NC(C)Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-(1-phenylpropan-2-ylamino)hexanoic acid?
The InChIKey is USRCBYHXYUARIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-4-10-14(15(17)18)16-12(2)11-13-8-6-5-7-9-13/h5-9,12,14,16H,3-4,10-11H2,1-2H3,(H,17,18).
What are the key properties of 2-(1-phenylpropan-2-ylamino)hexanoic acid?
2-(1-phenylpropan-2-ylamino)hexanoic acid has a molecular weight of 249.35 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropan-2-ylamino)hexanoic acid is sourced from PubChem (CID 103250487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).