2-amino-3-phenylpropanoic acid;chlorobenzene

C15H16ClNO2 — CID 174438338

IUPAC2-amino-3-phenylpropanoic acid;chlorobenzene
SMILESClc1ccccc1.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C6H5Cl/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5,8H,6,10H2,(H,11,12);1-5H
InChIKeyVWFYWFBBXJWHMA-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.98
Rot. Bonds3

About 2-amino-3-phenylpropanoic acid;chlorobenzene

2-amino-3-phenylpropanoic acid;chlorobenzene (PubChem CID 174438338) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-amino-3-phenylpropanoic acid;chlorobenzene.

Molecular Properties

Compound Name2-amino-3-phenylpropanoic acid;chlorobenzene
PubChem CID174438338
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name2-amino-3-phenylpropanoic acid;chlorobenzene
SMILESClc1ccccc1.NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C9H11NO2.C6H5Cl/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5,8H,6,10H2,(H,11,12);1-5H
InChIKeyVWFYWFBBXJWHMA-UHFFFAOYSA-N
XLogP2.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.98
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;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;trichlorosilane
CID 158938721
(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

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylpropanoic acid;chlorobenzene?
The IUPAC name of 2-amino-3-phenylpropanoic acid;chlorobenzene (CID 174438338) is 2-amino-3-phenylpropanoic acid;chlorobenzene.
What is the SMILES notation for 2-amino-3-phenylpropanoic acid;chlorobenzene?
The canonical SMILES for 2-amino-3-phenylpropanoic acid;chlorobenzene is Clc1ccccc1.NC(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-phenylpropanoic acid;chlorobenzene?
The InChIKey is VWFYWFBBXJWHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.C6H5Cl/c10-8(9(11)12)6-7-4-2-1-3-5-7;7-6-4-2-1-3-5-6/h1-5,8H,6,10H2,(H,11,12);1-5H.
What are the key properties of 2-amino-3-phenylpropanoic acid;chlorobenzene?
2-amino-3-phenylpropanoic acid;chlorobenzene has a molecular weight of 277.75 g/mol, XLogP of 2.98, 3 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;chlorobenzene is sourced from PubChem (CID 174438338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).