(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid

C20H25NO2 — CID 59318450

IUPAC(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid
SMILESC[C@H](CCCC(N)Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H25NO2/c1-15(20(22)23)6-5-9-19(21)14-16-10-12-18(13-11-16)17-7-3-2-4-8-17/h2-4,7-8,10-13,15,19H,5-6,9,14,21H2,1H3,(H,22,23)/t15-,19?/m1/s1
InChIKeyIGLUVNYCMWPCJI-NYRJJRHWSA-N
MW311.43 g/mol
LogP4.11
Rot. Bonds8

About (2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid

(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid (PubChem CID 59318450) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid.

Molecular Properties

Compound Name(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid
PubChem CID59318450
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid
SMILESC[C@H](CCCC(N)Cc1ccc(-c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C20H25NO2/c1-15(20(22)23)6-5-9-19(21)14-16-10-12-18(13-11-16)17-7-3-2-4-8-17/h2-4,7-8,10-13,15,19H,5-6,9,14,21H2,1H3,(H,22,23)/t15-,19?/m1/s1
InChIKeyIGLUVNYCMWPCJI-NYRJJRHWSA-N
XLogP4.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
CID 122454136
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729
3-[4-[4-(1-aminoethyl)phenyl]phenyl]-2-methylpropanoic acid
CID 166996996
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
ethyl (2R,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate
CID 11722991
1-(4-phenylphenyl)butan-2-amine
CID 23591877
ethyl (2S,4R)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
CID 127255946
3-methyl-2-[(4-phenylphenyl)methyl]butanoic acid
CID 116930683
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421

Frequently Asked Questions

What is the IUPAC name of (2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid?
The IUPAC name of (2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid (CID 59318450) is (2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid.
What is the SMILES notation for (2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid?
The canonical SMILES for (2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid is C[C@H](CCCC(N)Cc1ccc(-c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid?
The InChIKey is IGLUVNYCMWPCJI-NYRJJRHWSA-N. The full InChI is InChI=1S/C20H25NO2/c1-15(20(22)23)6-5-9-19(21)14-16-10-12-18(13-11-16)17-7-3-2-4-8-17/h2-4,7-8,10-13,15,19H,5-6,9,14,21H2,1H3,(H,22,23)/t15-,19?/m1/s1.
What are the key properties of (2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid?
(2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid has a molecular weight of 311.43 g/mol, XLogP of 4.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-amino-2-methyl-7-(4-phenylphenyl)heptanoic acid is sourced from PubChem (CID 59318450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).