(2S)-2-(3-aminophenoxy)butanoic acid

C10H13NO3 — CID 40788014

IUPAC(2S)-2-(3-aminophenoxy)butanoic acid
SMILESCC[C@H](Oc1cccc(N)c1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-9(10(12)13)14-8-5-3-4-7(11)6-8/h3-6,9H,2,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyCZPRPPHFGRNFKW-VIFPVBQESA-N
MW195.22 g/mol
LogP1.51
Rot. Bonds4

About (2S)-2-(3-aminophenoxy)butanoic acid

(2S)-2-(3-aminophenoxy)butanoic acid (PubChem CID 40788014) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (2S)-2-(3-aminophenoxy)butanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-aminophenoxy)butanoic acid
PubChem CID40788014
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(2S)-2-(3-aminophenoxy)butanoic acid
SMILESCC[C@H](Oc1cccc(N)c1)C(=O)O
InChIInChI=1S/C10H13NO3/c1-2-9(10(12)13)14-8-5-3-4-7(11)6-8/h3-6,9H,2,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyCZPRPPHFGRNFKW-VIFPVBQESA-N
XLogP1.51
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)butanamide
CID 62901524
methyl 2-(3-aminophenoxy)butanoate
CID 18433398
2-(3-methylphenoxy)butanoic acid
CID 4778922
3-[(1R)-1-carboxypropoxy]benzoic acid
CID 73424719
2-(3-aminophenoxy)-1-(2,4-dibromophenyl)butan-1-one
CID 46307590
2-(3-aminophenoxy)-1-(2,5-dibromophenyl)butan-1-one
CID 46307594
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
2-[3-(ethylaminomethyl)phenoxy]butanoic acid
CID 64668910
(E)-but-2-enedioic acid;2-phenoxybutanoic acid
CID 162331423
2-pyridin-3-yloxybutanoic acid
CID 18796174
2-[3-[(propan-2-ylamino)methyl]phenoxy]butanoic acid
CID 64669301
decanedioic acid;2-phenoxybutanoic acid
CID 69302201

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-aminophenoxy)butanoic acid?
The IUPAC name of (2S)-2-(3-aminophenoxy)butanoic acid (CID 40788014) is (2S)-2-(3-aminophenoxy)butanoic acid.
What is the SMILES notation for (2S)-2-(3-aminophenoxy)butanoic acid?
The canonical SMILES for (2S)-2-(3-aminophenoxy)butanoic acid is CC[C@H](Oc1cccc(N)c1)C(=O)O.
What is the InChIKey of (2S)-2-(3-aminophenoxy)butanoic acid?
The InChIKey is CZPRPPHFGRNFKW-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-9(10(12)13)14-8-5-3-4-7(11)6-8/h3-6,9H,2,11H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-2-(3-aminophenoxy)butanoic acid?
(2S)-2-(3-aminophenoxy)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-aminophenoxy)butanoic acid is sourced from PubChem (CID 40788014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).