2-amino-3-hydroxypropanoic acid;fluorobenzene

C9H12FNO3 — CID 175128385

IUPAC2-amino-3-hydroxypropanoic acid;fluorobenzene
SMILESFc1ccccc1.NC(CO)C(=O)O
InChIInChI=1S/C6H5F.C3H7NO3/c7-6-4-2-1-3-5-6;4-2(1-5)3(6)7/h1-5H;2,5H,1,4H2,(H,6,7)
InChIKeyCFJMFQORRJNKMP-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.22
Rot. Bonds2

About 2-amino-3-hydroxypropanoic acid;fluorobenzene

2-amino-3-hydroxypropanoic acid;fluorobenzene (PubChem CID 175128385) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-amino-3-hydroxypropanoic acid;fluorobenzene.

Molecular Properties

Compound Name2-amino-3-hydroxypropanoic acid;fluorobenzene
PubChem CID175128385
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name2-amino-3-hydroxypropanoic acid;fluorobenzene
SMILESFc1ccccc1.NC(CO)C(=O)O
InChIInChI=1S/C6H5F.C3H7NO3/c7-6-4-2-1-3-5-6;4-2(1-5)3(6)7/h1-5H;2,5H,1,4H2,(H,6,7)
InChIKeyCFJMFQORRJNKMP-UHFFFAOYSA-N
XLogP0.22
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-hydroxy(1,2,3-13C3)propanoic acid
CID 71309922
2-amino-3-hydroxypropanoic acid;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 70461893
(2S)-2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
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2-amino-3-hydroxypropanoic acid;2-hydroxybenzoic acid
CID 70187376
CID 157089134
CID 157089134
(2S)-2-amino-3-hydroxypropanoic acid;1-phenylpropan-2-amine
CID 66730568
(2S)-2-amino-3-hydroxypropanoic acid;benzyl carbamate
CID 67874309
2-amino-3-hydroxypropanoic acid;1-phenylpropan-1-ol
CID 174962232
2-amino-3-hydroxypropanoic acid;oxalic acid
CID 174377676
2-amino-3-hydroxypropanoic acid;urea
CID 90283765
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
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CID 160632774

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxypropanoic acid;fluorobenzene?
The IUPAC name of 2-amino-3-hydroxypropanoic acid;fluorobenzene (CID 175128385) is 2-amino-3-hydroxypropanoic acid;fluorobenzene.
What is the SMILES notation for 2-amino-3-hydroxypropanoic acid;fluorobenzene?
The canonical SMILES for 2-amino-3-hydroxypropanoic acid;fluorobenzene is Fc1ccccc1.NC(CO)C(=O)O.
What is the InChIKey of 2-amino-3-hydroxypropanoic acid;fluorobenzene?
The InChIKey is CFJMFQORRJNKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.C3H7NO3/c7-6-4-2-1-3-5-6;4-2(1-5)3(6)7/h1-5H;2,5H,1,4H2,(H,6,7).
What are the key properties of 2-amino-3-hydroxypropanoic acid;fluorobenzene?
2-amino-3-hydroxypropanoic acid;fluorobenzene has a molecular weight of 201.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxypropanoic acid;fluorobenzene is sourced from PubChem (CID 175128385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).