(2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide

C11H14BrNO2 — CID 67919740

IUPAC(2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide
SMILESBr.C=CN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO2.BrH/c1-2-12-10(11(13)14)8-9-6-4-3-5-7-9;/h2-7,10,12H,1,8H2,(H,13,14);1H/t10-;/m0./s1
InChIKeyZZWSPUBPVRDPPV-PPHPATTJSA-N
MW272.14 g/mol
LogP1.99
Rot. Bonds5

About (2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide

(2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide (PubChem CID 67919740) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide.

Molecular Properties

Compound Name(2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide
PubChem CID67919740
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide
SMILESBr.C=CN[C@@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C11H13NO2.BrH/c1-2-12-10(11(13)14)8-9-6-4-3-5-7-9;/h2-7,10,12H,1,8H2,(H,13,14);1H/t10-;/m0./s1
InChIKeyZZWSPUBPVRDPPV-PPHPATTJSA-N
XLogP1.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-[[(E)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobut-2-enoyl]amino]-3-phenylpropanoic acid
CID 70442166
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
2-formamido-3-phenylpropanoic acid;pyrazine
CID 174670017
(2S)-2-(but-3-enoylamino)-3-phenylpropanoic acid
CID 62678160
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(Z)-4-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-oxobut-2-enoic acid
CID 11687575
(2S)-2-(3-oxopent-4-enylamino)-3-phenylpropanoic acid
CID 57269541
3-phenyl-2-[[(Z)-4,4,4-trichloro-3-oxobut-1-enyl]amino]propanoic acid
CID 23247360
(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
3-phenyl-2-[[3-phenyl-2-(prop-2-enoxycarbonylamino)propanoyl]amino]propanoic acid
CID 20643463
(2S)-2-(but-2-enoylamino)-3-phenylpropanoic acid
CID 54470375

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide?
The IUPAC name of (2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide (CID 67919740) is (2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide.
What is the SMILES notation for (2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide?
The canonical SMILES for (2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide is Br.C=CN[C@@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide?
The InChIKey is ZZWSPUBPVRDPPV-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13NO2.BrH/c1-2-12-10(11(13)14)8-9-6-4-3-5-7-9;/h2-7,10,12H,1,8H2,(H,13,14);1H/t10-;/m0./s1.
What are the key properties of (2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide?
(2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide has a molecular weight of 272.14 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethenylamino)-3-phenylpropanoic acid;hydrobromide is sourced from PubChem (CID 67919740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).