(2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid

C19H23NO2 — CID 122037987

IUPAC(2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid
SMILESCCC(CN[C@H](Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-16(17-11-7-4-8-12-17)14-20-18(19(21)22)13-15-9-5-3-6-10-15/h3-12,16,18,20H,2,13-14H2,1H3,(H,21,22)/t16?,18-/m1/s1
InChIKeyOIGCBQBBBDZKGZ-UHUGOGIASA-N
MW297.40 g/mol
LogP3.47
Rot. Bonds8

About (2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid

(2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid (PubChem CID 122037987) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid.

Molecular Properties

Compound Name(2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid
PubChem CID122037987
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid
SMILESCCC(CN[C@H](Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-2-16(17-11-7-4-8-12-17)14-20-18(19(21)22)13-15-9-5-3-6-10-15/h3-12,16,18,20H,2,13-14H2,1H3,(H,21,22)/t16?,18-/m1/s1
InChIKeyOIGCBQBBBDZKGZ-UHUGOGIASA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-ethylhexylamino)-3-phenylpropanoic acid
CID 68969533
hydrogen peroxide;1-phenylbutan-2-ylbenzene
CID 19777291
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
(2R)-2-[(2-methyl-4-phenylbutyl)amino]-3-phenylpropanoic acid
CID 120511517
(2S)-2-(ethylsulfanylmethylamino)-3-phenylpropanoic acid
CID 67703263
(2S)-2-(diethylaminomethylamino)-3-phenylpropanoic acid
CID 67664656
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2S)-2-(but-2-ynylamino)-3-phenylpropanoic acid
CID 101045533
2-(pentylamino)-3-phenylpropanoic acid;hydrate
CID 175282297
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
2-[3-(4-methoxyphenyl)pentanoylamino]-3-phenylpropanoic acid
CID 120684248
2-phenylbutylurea
CID 137320233

Frequently Asked Questions

What is the IUPAC name of (2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid?
The IUPAC name of (2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid (CID 122037987) is (2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid.
What is the SMILES notation for (2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid?
The canonical SMILES for (2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid is CCC(CN[C@H](Cc1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid?
The InChIKey is OIGCBQBBBDZKGZ-UHUGOGIASA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-16(17-11-7-4-8-12-17)14-20-18(19(21)22)13-15-9-5-3-6-10-15/h3-12,16,18,20H,2,13-14H2,1H3,(H,21,22)/t16?,18-/m1/s1.
What are the key properties of (2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid?
(2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 3.47, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-phenyl-2-(2-phenylbutylamino)propanoic acid is sourced from PubChem (CID 122037987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).