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

C15H23NO2 — CID 39352014

IUPAC2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
SMILESCC(C)c1ccc(CN(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)14-7-5-13(6-8-14)9-16(12(3)4)10-15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeySIPHQYVJCJDWIE-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.11
Rot. Bonds6

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

2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid (PubChem CID 39352014) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
PubChem CID39352014
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
SMILESCC(C)c1ccc(CN(CC(=O)O)C(C)C)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)14-7-5-13(6-8-14)9-16(12(3)4)10-15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18)
InChIKeySIPHQYVJCJDWIE-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.11
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-[(3-chloro-4-fluorophenyl)methyl-propan-2-ylamino]acetic acid
CID 81155924
2-[(3-bromo-4-chlorophenyl)methyl-propan-2-ylamino]acetic acid
CID 83240855
2-[(4-butoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 122043977
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
2-[(3-fluoro-4-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 65056699
2-[(3-methylphenyl)methyl-propan-2-ylamino]acetic acid
CID 39244683
2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65057052
N-(2-bromoethyl)-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 80671287
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231087
3-[methyl-[(4-propan-2-ylphenyl)methyl]amino]butanoic acid
CID 117042175
2-[(3-fluoro-4-methoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 60839990

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid (CID 39352014) is 2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid is CC(C)c1ccc(CN(CC(=O)O)C(C)C)cc1.
What is the InChIKey of 2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid?
The InChIKey is SIPHQYVJCJDWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)14-7-5-13(6-8-14)9-16(12(3)4)10-15(17)18/h5-8,11-12H,9-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid?
2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid has a molecular weight of 249.35 g/mol, XLogP of 3.11, 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-[(4-propan-2-ylphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 39352014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).