2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene

C24H33NO2 — CID 145234074

IUPAC2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(CC2CCCC2)cc1.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22.C9H11NO2/c1-12(2)15-9-7-14(8-10-15)11-13-5-3-4-6-13;10-8(9(11)12)6-7-4-2-1-3-5-7/h7-10,12-13H,3-6,11H2,1-2H3;1-5,8H,6,10H2,(H,11,12)
InChIKeyZUBUWVWKXLMISF-UHFFFAOYSA-N
MW367.53 g/mol
LogP5.18
Rot. Bonds6

About 2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene

2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene (PubChem CID 145234074) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene
PubChem CID145234074
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(CC2CCCC2)cc1.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22.C9H11NO2/c1-12(2)15-9-7-14(8-10-15)11-13-5-3-4-6-13;10-8(9(11)12)6-7-4-2-1-3-5-7/h7-10,12-13H,3-6,11H2,1-2H3;1-5,8H,6,10H2,(H,11,12)
InChIKeyZUBUWVWKXLMISF-UHFFFAOYSA-N
XLogP5.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.53
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;bis((2S)-2-aminopropanoic acid)
CID 67264912
(2S)-2-amino-N-(2-cyclopentylethyl)-3-phenylpropanamide;hydrochloride
CID 119289813
(2S)-2-amino-N-(2-cyclohexylethyl)-3-phenylpropanamide
CID 61178134
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-N-(cyclohexylmethyl)-3-phenylpropanamide;hydrochloride
CID 119262630
1-(cyclopentylmethyl)-4-propan-2-ylbenzene;hydroxysulfanylethane
CID 145234037
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene?
The IUPAC name of 2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene (CID 145234074) is 2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene?
The canonical SMILES for 2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene is CC(C)c1ccc(CC2CCCC2)cc1.NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene?
The InChIKey is ZUBUWVWKXLMISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22.C9H11NO2/c1-12(2)15-9-7-14(8-10-15)11-13-5-3-4-6-13;10-8(9(11)12)6-7-4-2-1-3-5-7/h7-10,12-13H,3-6,11H2,1-2H3;1-5,8H,6,10H2,(H,11,12).
What are the key properties of 2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene?
2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene has a molecular weight of 367.53 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanoic acid;1-(cyclopentylmethyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 145234074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).