2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid

C11H14ClNO3 — CID 54586665

IUPAC2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid
SMILESC[C@@H](CNCC(=O)O)Oc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-8(6-13-7-11(14)15)16-10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyNDKMRSPIBYXZSP-QMMMGPOBSA-N
MW243.69 g/mol
LogP1.78
Rot. Bonds6

About 2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid

2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid (PubChem CID 54586665) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid
PubChem CID54586665
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid
SMILESC[C@@H](CNCC(=O)O)Oc1ccc(Cl)cc1
InChIInChI=1S/C11H14ClNO3/c1-8(6-13-7-11(14)15)16-10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3,(H,14,15)/t8-/m0/s1
InChIKeyNDKMRSPIBYXZSP-QMMMGPOBSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-Chlorophenoxy)methyl]-1,3-oxazolidin-2-one
CID 328968
4-(4-Chlorophenoxy)-N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide
CID 50990927
[2-(4-Chloro-phenoxy)-ethyl]-(3-phenoxy-propyl)-amine
CID 10315310
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2432738
[4-(4-Chlorophenoxy)-2-butyn-1-yl]isopropylamine oxalate
CID 2961051
[2-(3-Chloro-phenoxy)-butylamino]-acetic acid
CID 10108471
2-[2-(4-Chlorophenoxy)propylamino]acetic acid
CID 10356287
CID 54582774
CID 54582774
4-(4-chlorophenoxy)-N-(2-oxooxolan-3-yl)butanamide
CID 56665646
1-(2-(4-Chlorophenoxy)ethoxy)-3-(isopropylamino)propan-2-ol hydrochloride
CID 2843901
Acetamide, 2-(p-chlorophenoxy)-N-(3-(dimethylamino)propyl)-
CID 121036
(2-(4-Chlorophenoxy)ethyl)(methyl)amine
CID 295966

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid (CID 54586665) is 2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid is C[C@@H](CNCC(=O)O)Oc1ccc(Cl)cc1.
What is the InChIKey of 2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid?
The InChIKey is NDKMRSPIBYXZSP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-8(6-13-7-11(14)15)16-10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3,(H,14,15)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid?
2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid has a molecular weight of 243.69 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(4-chlorophenoxy)propyl]amino]acetic acid is sourced from PubChem (CID 54586665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).