(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid

C9H10ClNO3 — CID 16730463

IUPAC(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
SMILESNC[C@H](Oc1ccccc1Cl)C(=O)O
InChIInChI=1S/C9H10ClNO3/c10-6-3-1-2-4-7(6)14-8(5-11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyPFWKDPGWCMGSGB-QMMMGPOBSA-N
MW215.64 g/mol
LogP1.13
Rot. Bonds4

About (2S)-3-amino-2-(2-chlorophenoxy)propanoic acid

(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid (PubChem CID 16730463) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is (2S)-3-amino-2-(2-chlorophenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
PubChem CID16730463
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
SMILESNC[C@H](Oc1ccccc1Cl)C(=O)O
InChIInChI=1S/C9H10ClNO3/c10-6-3-1-2-4-7(6)14-8(5-11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyPFWKDPGWCMGSGB-QMMMGPOBSA-N
XLogP1.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride
CID 68946272
3-(4-bromophenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133245431
(2S)-2-(2-chlorophenoxy)-3-(3,4-dichlorophenyl)propanoic acid
CID 100540005
(2S)-2-(2-chlorophenoxy)-3-(2,6-dimethylphenyl)propanoic acid
CID 100527792
(2R)-2-(2-chlorophenoxy)butanoate
CID 7022542
(2S)-2-(2-chlorophenoxy)butanoate
CID 7268784
2-(2-chlorophenoxy)-2-fluoroacetic acid
CID 79356644
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133241239
2-[2-(aminomethyl)-3-chlorophenoxy]pentanoic acid
CID 83036006
2-(2-chlorophenoxy)propanedioate
CID 19095840
(2S)-2-(2-chlorophenoxy)-3-[[(1S)-2-methyl-1-(2-methylpropanoyloxy)propoxy]carbonylamino]propanoic acid
CID 67172426

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(2-chlorophenoxy)propanoic acid?
The IUPAC name of (2S)-3-amino-2-(2-chlorophenoxy)propanoic acid (CID 16730463) is (2S)-3-amino-2-(2-chlorophenoxy)propanoic acid.
What is the SMILES notation for (2S)-3-amino-2-(2-chlorophenoxy)propanoic acid?
The canonical SMILES for (2S)-3-amino-2-(2-chlorophenoxy)propanoic acid is NC[C@H](Oc1ccccc1Cl)C(=O)O.
What is the InChIKey of (2S)-3-amino-2-(2-chlorophenoxy)propanoic acid?
The InChIKey is PFWKDPGWCMGSGB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-6-3-1-2-4-7(6)14-8(5-11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-3-amino-2-(2-chlorophenoxy)propanoic acid?
(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid has a molecular weight of 215.64 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-amino-2-(2-chlorophenoxy)propanoic acid is sourced from PubChem (CID 16730463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).