(3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid

C19H22ClNO2 — CID 174690146

IUPAC(3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid
SMILESCC(CC[C@@H](N)CC(=O)O)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C19H22ClNO2/c1-13(7-9-16(21)12-19(22)23)17-10-8-15(11-18(17)20)14-5-3-2-4-6-14/h2-6,8,10-11,13,16H,7,9,12,21H2,1H3,(H,22,23)/t13?,16-/m1/s1
InChIKeyLLMPBBRCIFUQHP-FQNRMIAFSA-N
MW331.84 g/mol
LogP4.69
Rot. Bonds7

About (3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid

(3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid (PubChem CID 174690146) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid
PubChem CID174690146
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid
SMILESCC(CC[C@@H](N)CC(=O)O)c1ccc(-c2ccccc2)cc1Cl
InChIInChI=1S/C19H22ClNO2/c1-13(7-9-16(21)12-19(22)23)17-10-8-15(11-18(17)20)14-5-3-2-4-6-14/h2-6,8,10-11,13,16H,7,9,12,21H2,1H3,(H,22,23)/t13?,16-/m1/s1
InChIKeyLLMPBBRCIFUQHP-FQNRMIAFSA-N
XLogP4.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid?
The IUPAC name of (3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid (CID 174690146) is (3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid.
What is the SMILES notation for (3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid?
The canonical SMILES for (3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid is CC(CC[C@@H](N)CC(=O)O)c1ccc(-c2ccccc2)cc1Cl.
What is the InChIKey of (3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid?
The InChIKey is LLMPBBRCIFUQHP-FQNRMIAFSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-13(7-9-16(21)12-19(22)23)17-10-8-15(11-18(17)20)14-5-3-2-4-6-14/h2-6,8,10-11,13,16H,7,9,12,21H2,1H3,(H,22,23)/t13?,16-/m1/s1.
What are the key properties of (3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid?
(3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid has a molecular weight of 331.84 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-6-(2-chloro-4-phenylphenyl)heptanoic acid is sourced from PubChem (CID 174690146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).