2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid

C16H25NO2 — CID 65057052

IUPAC2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
SMILESCC(C)c1ccc(C(C)N(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)14-6-8-15(9-7-14)13(5)17(12(3)4)10-16(18)19/h6-9,11-13H,10H2,1-5H3,(H,18,19)
InChIKeyRODLPIDDMSXSSB-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.67
Rot. Bonds6

About 2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid

2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid (PubChem CID 65057052) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
PubChem CID65057052
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
SMILESCC(C)c1ccc(C(C)N(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-11(2)14-6-8-15(9-7-14)13(5)17(12(3)4)10-16(18)19/h6-9,11-13H,10H2,1-5H3,(H,18,19)
InChIKeyRODLPIDDMSXSSB-UHFFFAOYSA-N
XLogP3.67
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
2-[1-[4-(difluoromethoxy)phenyl]ethyl-propan-2-ylamino]acetic acid
CID 65056837
2-[1-(3-chlorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65056740
2-[1-(3-fluorophenyl)ethyl-propan-2-ylamino]acetic acid
CID 65057333
2-[1-(4-hydroxyphenyl)ethyl-propan-2-ylamino]acetamide
CID 82978295
2-[1-(4-bromophenyl)ethyl-butan-2-ylamino]acetic acid
CID 65057440
2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
CID 39352014
2-[1-[3-(difluoromethoxy)phenyl]ethyl-propan-2-ylamino]acetic acid
CID 65057290
2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid
CID 84748660
2-[butan-2-yl-(4-propan-2-ylphenyl)sulfonylamino]acetic acid
CID 60828470

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid (CID 65057052) is 2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid is CC(C)c1ccc(C(C)N(CC(=O)O)C(C)C)cc1.
What is the InChIKey of 2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
The InChIKey is RODLPIDDMSXSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11(2)14-6-8-15(9-7-14)13(5)17(12(3)4)10-16(18)19/h6-9,11-13H,10H2,1-5H3,(H,18,19).
What are the key properties of 2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid has a molecular weight of 263.38 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65057052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).