(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride

C9H10Cl3NO3 — CID 68946272

IUPAC(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride
SMILESCl.NC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C9H9Cl2NO3.ClH/c10-5-1-2-6(11)7(3-5)15-8(4-12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H/t8-;/m0./s1
InChIKeyFITOJEBZTKBZQX-QRPNPIFTSA-N
MW286.54 g/mol
LogP2.21
Rot. Bonds4

About (2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride

(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride (PubChem CID 68946272) has the molecular formula C9H10Cl3NO3 and a molecular weight of 286.54 g/mol. Its IUPAC name is (2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride
PubChem CID68946272
Molecular FormulaC9H10Cl3NO3
Molecular Weight286.54 g/mol
Exact Mass284.97
IUPAC Name(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride
SMILESCl.NC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C9H9Cl2NO3.ClH/c10-5-1-2-6(11)7(3-5)15-8(4-12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H/t8-;/m0./s1
InChIKeyFITOJEBZTKBZQX-QRPNPIFTSA-N
XLogP2.21
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.54
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichlorophenoxy)butanamide
CID 62901251
ethyl 2-(2,5-dichlorophenoxy)pentanoate
CID 83038151
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
(2S)-2-(2,5-dichlorophenoxy)-3-(phenylmethoxycarbonylamino)propanoic acid
CID 68945478
3-amino-2-(2,5-difluorophenoxy)propanoic acid
CID 64695247
methyl 2-(2,5-dichlorophenoxy)hexanoate
CID 113373433
2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 22683206
(2R)-2-(2,5-dichlorophenoxy)-2-phenylacetic acid
CID 42177498
methyl (2R)-2-(2,5-dichlorophenoxy)propanoate
CID 103337705
2-(2,5-dichlorophenoxy)propanoyl chloride
CID 23469841
(2R)-2-(2,5-dichlorophenoxy)propanoyl chloride
CID 51663788
4-[[3-carboxy-3-(2,4-dichlorophenoxy)propyl]amino]-2-(2,4-dichlorophenoxy)butanoic acid
CID 175933797

Frequently Asked Questions

What is the IUPAC name of (2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride?
The IUPAC name of (2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride (CID 68946272) is (2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride is Cl.NC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of (2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride?
The InChIKey is FITOJEBZTKBZQX-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H9Cl2NO3.ClH/c10-5-1-2-6(11)7(3-5)15-8(4-12)9(13)14;/h1-3,8H,4,12H2,(H,13,14);1H/t8-;/m0./s1.
What are the key properties of (2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride?
(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride has a molecular weight of 286.54 g/mol, XLogP of 2.21, 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-(2,5-dichlorophenoxy)propanoic acid;hydrochloride is sourced from PubChem (CID 68946272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).