(2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid

C16H17NO2 — CID 151761419

IUPAC(2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid
SMILESN[C@H](CC1=CCC(=Cc2ccccc2)C=C1)C(=O)O
InChIInChI=1S/C16H17NO2/c17-15(16(18)19)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-6,8-10,15H,7,11,17H2,(H,18,19)/t15-/m1/s1
InChIKeyRQQJEKQZSXAEDD-OAHLLOKOSA-N
MW255.32 g/mol
LogP2.76
Rot. Bonds4

About (2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid

(2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid (PubChem CID 151761419) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid
PubChem CID151761419
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name(2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid
SMILESN[C@H](CC1=CCC(=Cc2ccccc2)C=C1)C(=O)O
InChIInChI=1S/C16H17NO2/c17-15(16(18)19)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-6,8-10,15H,7,11,17H2,(H,18,19)/t15-/m1/s1
InChIKeyRQQJEKQZSXAEDD-OAHLLOKOSA-N
XLogP2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310
acetylene;(2S)-2-amino-3-phenylpropanoic acid
CID 158164827
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2R)-2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid
CID 89338685

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid (CID 151761419) is (2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid is N[C@H](CC1=CCC(=Cc2ccccc2)C=C1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid?
The InChIKey is RQQJEKQZSXAEDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO2/c17-15(16(18)19)11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-6,8-10,15H,7,11,17H2,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid?
(2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-benzylidenecyclohexa-1,5-dien-1-yl)propanoic acid is sourced from PubChem (CID 151761419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).