2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid

C16H23NO4 — CID 119198334

IUPAC2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
SMILESCC(C)Oc1cccc(CC(=O)N(CC(=O)O)C(C)C)c1
InChIInChI=1S/C16H23NO4/c1-11(2)17(10-16(19)20)15(18)9-13-6-5-7-14(8-13)21-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,20)
InChIKeyBPMDXENYEGDPDW-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.34
Rot. Bonds7

About 2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid

2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid (PubChem CID 119198334) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
PubChem CID119198334
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
SMILESCC(C)Oc1cccc(CC(=O)N(CC(=O)O)C(C)C)c1
InChIInChI=1S/C16H23NO4/c1-11(2)17(10-16(19)20)15(18)9-13-6-5-7-14(8-13)21-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,20)
InChIKeyBPMDXENYEGDPDW-UHFFFAOYSA-N
XLogP2.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 119194970
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
2-[[2-(3,4-dichlorophenyl)acetyl]-propan-2-ylamino]acetic acid
CID 60832402
(2R)-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119244137
2-[(3-propan-2-yloxyphenyl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264180
N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 120648333
2-[[2-(4-acetylphenyl)acetyl]-propan-2-ylamino]acetic acid
CID 120580930
ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
CID 62498045
2-[cyclopentyl-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 65058788
2-[methyl-[2-(4-propan-2-yloxyphenyl)acetyl]amino]acetic acid
CID 98017762
(2R)-4-methyl-2-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119363288
5-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]pentanoic acid
CID 119234678

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid (CID 119198334) is 2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid is CC(C)Oc1cccc(CC(=O)N(CC(=O)O)C(C)C)c1.
What is the InChIKey of 2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
The InChIKey is BPMDXENYEGDPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)17(10-16(19)20)15(18)9-13-6-5-7-14(8-13)21-12(3)4/h5-8,11-12H,9-10H2,1-4H3,(H,19,20).
What are the key properties of 2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid?
2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid has a molecular weight of 293.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[2-(3-propan-2-yloxyphenyl)acetyl]amino]acetic acid is sourced from PubChem (CID 119198334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).