2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid

C16H21NO4 — CID 43655320

IUPAC2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid
SMILESCc1cccc(C)c1OCC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C16H21NO4/c1-11-4-3-5-12(2)16(11)21-10-14(18)17(9-15(19)20)8-13-6-7-13/h3-5,13H,6-10H2,1-2H3,(H,19,20)
InChIKeyZIBAVTURFLDSHW-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.01
Rot. Bonds7

About 2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid

2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid (PubChem CID 43655320) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid
PubChem CID43655320
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid
SMILESCc1cccc(C)c1OCC(=O)N(CC(=O)O)CC1CC1
InChIInChI=1S/C16H21NO4/c1-11-4-3-5-12(2)16(11)21-10-14(18)17(9-15(19)20)8-13-6-7-13/h3-5,13H,6-10H2,1-2H3,(H,19,20)
InChIKeyZIBAVTURFLDSHW-UHFFFAOYSA-N
XLogP2.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-[2-(2-fluorophenoxy)acetyl]amino]acetic acid
CID 43655608
2-[[2-(2-chloro-5-methylphenoxy)acetyl]-(cyclopropylmethyl)amino]acetic acid
CID 43655334
2-[cyclopropylmethyl-(2-phenylmethoxyacetyl)amino]acetic acid
CID 43655474
N-cyclobutyl-2-(2,6-dimethylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 102684292
N,N-bis(2-cyanoethyl)-2-(2,6-dimethylphenoxy)acetamide
CID 51142804
2-[cyclopropylmethyl-(2-phenylsulfanylacetyl)amino]acetic acid
CID 43655362
2-(2,6-dimethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119444398
N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 94158151
2-(2,6-dimethylphenoxy)acetic acid;ethyl 2-(2,6-dimethylphenoxy)acetate
CID 158433715
2-[cyclopropylmethyl-[3-(4-fluorophenoxy)propanoyl]amino]acetic acid
CID 43655315
2-[cyclopropylmethyl-(2-methoxybenzoyl)amino]acetic acid
CID 43655299
2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
CID 43655190

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid (CID 43655320) is 2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid is Cc1cccc(C)c1OCC(=O)N(CC(=O)O)CC1CC1.
What is the InChIKey of 2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid?
The InChIKey is ZIBAVTURFLDSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11-4-3-5-12(2)16(11)21-10-14(18)17(9-15(19)20)8-13-6-7-13/h3-5,13H,6-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid?
2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid has a molecular weight of 291.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[2-(2,6-dimethylphenoxy)acetyl]amino]acetic acid is sourced from PubChem (CID 43655320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).