phenyl (2S)-2-aminopropanoate

C9H11NO2 — CID 18640396

IUPACphenyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1ccccc1
InChIInChI=1S/C9H11NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1
InChIKeyHCRMTRJXSDDOIK-ZETCQYMHSA-N
MW165.19 g/mol
LogP0.94
Rot. Bonds2

About phenyl (2S)-2-aminopropanoate

phenyl (2S)-2-aminopropanoate (PubChem CID 18640396) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is phenyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Namephenyl (2S)-2-aminopropanoate
PubChem CID18640396
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Namephenyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)Oc1ccccc1
InChIInChI=1S/C9H11NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1
InChIKeyHCRMTRJXSDDOIK-ZETCQYMHSA-N
XLogP0.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-Phenoxyethanamine
CID 15651
Phenyl butyrate
CID 20354
1-Phenoxy-2-propanamine
CID 37087
Phenyl propionate
CID 12497
Propionic acid 4-(3-isopropylamino-propoxy)-phenyl ester
CID 10539628
2-(4-Methoxyphenoxy)ethylamine
CID 1797793
p-Tolyl-3-aminopropanoate
CID 82111472
O-Phenylhomoserine
CID 191234
(2-Aminoethoxy)benzene hydrochloride
CID 458500
1-(2-Methoxyphenoxy)propan-2-amine
CID 13606883
1-Phenoxypropan-2-amine hydrochloride
CID 45791653
1-(2-Aminopropoxy)-2,4-difluorobenzene
CID 16789030

Frequently Asked Questions

What is the IUPAC name of phenyl (2S)-2-aminopropanoate?
The IUPAC name of phenyl (2S)-2-aminopropanoate (CID 18640396) is phenyl (2S)-2-aminopropanoate.
What is the SMILES notation for phenyl (2S)-2-aminopropanoate?
The canonical SMILES for phenyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2S)-2-aminopropanoate?
The InChIKey is HCRMTRJXSDDOIK-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(10)9(11)12-8-5-3-2-4-6-8/h2-7H,10H2,1H3/t7-/m0/s1.
What are the key properties of phenyl (2S)-2-aminopropanoate?
phenyl (2S)-2-aminopropanoate has a molecular weight of 165.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S)-2-aminopropanoate is sourced from PubChem (CID 18640396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).