(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate

C15H20NO5- — CID 2334247

IUPAC(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate
SMILESCC(C)COc1cccc(OCC(=O)N[C@@H](C)C(=O)[O-])c1
InChIInChI=1S/C15H21NO5/c1-10(2)8-20-12-5-4-6-13(7-12)21-9-14(17)16-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1
InChIKeyWVJLAWATIFDIGW-NSHDSACASA-M
MW294.33 g/mol
LogP0.35
Rot. Bonds8

About (2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate

(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate (PubChem CID 2334247) has the molecular formula C15H20NO5- and a molecular weight of 294.33 g/mol. Its IUPAC name is (2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate.

Molecular Properties

Compound Name(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate
PubChem CID2334247
Molecular FormulaC15H20NO5-
Molecular Weight294.33 g/mol
Exact Mass294.13
IUPAC Name(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate
SMILESCC(C)COc1cccc(OCC(=O)N[C@@H](C)C(=O)[O-])c1
InChIInChI=1S/C15H21NO5/c1-10(2)8-20-12-5-4-6-13(7-12)21-9-14(17)16-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1
InChIKeyWVJLAWATIFDIGW-NSHDSACASA-M
XLogP0.35
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoic acid
CID 2334250
(2R)-2-[[2-(3-methoxyphenoxy)acetyl]amino]propanoic acid
CID 7722413
2-(3-methoxyphenoxy)-N-propan-2-ylacetamide
CID 4149029
(2R)-2-[[2-[4-(4-methylphenoxy)phenoxy]acetyl]amino]propanoate
CID 2333588
2-[[2-(3-butoxyphenoxy)acetyl]amino]propanoic acid
CID 4733202
ethyl 2-[3-(2-methylpropoxy)phenoxy]acetate
CID 86689297
2-[[2-(3-chlorophenoxy)acetyl]amino]propanoic acid
CID 43239395
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]amino]propanoate
CID 9156871
(2S)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157045
(2R)-2-[[2-(2-methylphenoxy)acetyl]amino]propanoate
CID 9157049
2-(3-chlorophenoxy)-N-(3-oxopentan-2-yl)acetamide
CID 64996994

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate?
The IUPAC name of (2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate (CID 2334247) is (2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate.
What is the SMILES notation for (2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate?
The canonical SMILES for (2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate is CC(C)COc1cccc(OCC(=O)N[C@@H](C)C(=O)[O-])c1.
What is the InChIKey of (2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate?
The InChIKey is WVJLAWATIFDIGW-NSHDSACASA-M. The full InChI is InChI=1S/C15H21NO5/c1-10(2)8-20-12-5-4-6-13(7-12)21-9-14(17)16-11(3)15(18)19/h4-7,10-11H,8-9H2,1-3H3,(H,16,17)(H,18,19)/p-1/t11-/m0/s1.
What are the key properties of (2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate?
(2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate has a molecular weight of 294.33 g/mol, XLogP of 0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[3-(2-methylpropoxy)phenoxy]acetyl]amino]propanoate is sourced from PubChem (CID 2334247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).