2-(2-phenylmethoxypropanoylamino)hexanoic acid

C16H23NO4 — CID 43469799

IUPAC2-(2-phenylmethoxypropanoylamino)hexanoic acid
SMILESCCCCC(NC(=O)C(C)OCc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-3-4-10-14(16(19)20)17-15(18)12(2)21-11-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBFKHSLBRVWYNFU-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.35
Rot. Bonds9

About 2-(2-phenylmethoxypropanoylamino)hexanoic acid

2-(2-phenylmethoxypropanoylamino)hexanoic acid (PubChem CID 43469799) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(2-phenylmethoxypropanoylamino)hexanoic acid.

Molecular Properties

Compound Name2-(2-phenylmethoxypropanoylamino)hexanoic acid
PubChem CID43469799
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(2-phenylmethoxypropanoylamino)hexanoic acid
SMILESCCCCC(NC(=O)C(C)OCc1ccccc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-3-4-10-14(16(19)20)17-15(18)12(2)21-11-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyBFKHSLBRVWYNFU-UHFFFAOYSA-N
XLogP2.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(2-phenylmethoxypropanoylamino)pentanoic acid
CID 43353337
4-amino-4-oxo-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43357173
(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoic acid
CID 10737503
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
3-methyl-2-(2-phenylmethoxypropanoylamino)butanoic acid
CID 43354070
2-[2-(2-chlorophenoxy)propanoylamino]hexanoic acid
CID 43469679
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 107144006
2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoic acid;1-methylsulfonylethene
CID 67334740
methyl (2S)-2-[[(2R)-2-(phenylmethoxycarbonylamino)hexanoyl]amino]hexanoate
CID 91746288
(3R,4S)-4-methyl-3-phenylmethoxyoctanoic acid
CID 69261868
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
N-(4-hydroxy-1-methoxybutan-2-yl)-2-phenylmethoxypropanamide
CID 103850827

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxypropanoylamino)hexanoic acid?
The IUPAC name of 2-(2-phenylmethoxypropanoylamino)hexanoic acid (CID 43469799) is 2-(2-phenylmethoxypropanoylamino)hexanoic acid.
What is the SMILES notation for 2-(2-phenylmethoxypropanoylamino)hexanoic acid?
The canonical SMILES for 2-(2-phenylmethoxypropanoylamino)hexanoic acid is CCCCC(NC(=O)C(C)OCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenylmethoxypropanoylamino)hexanoic acid?
The InChIKey is BFKHSLBRVWYNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-4-10-14(16(19)20)17-15(18)12(2)21-11-13-8-6-5-7-9-13/h5-9,12,14H,3-4,10-11H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2-phenylmethoxypropanoylamino)hexanoic acid?
2-(2-phenylmethoxypropanoylamino)hexanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxypropanoylamino)hexanoic acid is sourced from PubChem (CID 43469799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).