2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid

C13H19NO2 — CID 43135086

IUPAC2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid
SMILESCC(C)c1ccc(C(C)NCC(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-9(2)11-4-6-12(7-5-11)10(3)14-8-13(15)16/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)
InChIKeyUERGPEKYGSLUHE-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.55
Rot. Bonds5

About 2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid

2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid (PubChem CID 43135086) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid
PubChem CID43135086
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid
SMILESCC(C)c1ccc(C(C)NCC(=O)O)cc1
InChIInChI=1S/C13H19NO2/c1-9(2)11-4-6-12(7-5-11)10(3)14-8-13(15)16/h4-7,9-10,14H,8H2,1-3H3,(H,15,16)
InChIKeyUERGPEKYGSLUHE-UHFFFAOYSA-N
XLogP2.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
2-[1-(4-iodophenyl)ethylamino]acetic acid
CID 43774198
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
2-[[(1S)-1-phenylethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8898156
2-(propan-2-ylamino)-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 60671194
N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-(4-aminobutylamino)acetic acid;2-[[(1S)-1-phenylethyl]amino]acetic acid
CID 66713407
2-[1-(2,6-dichloro-3-fluorophenyl)ethylamino]acetic acid
CID 43545181
N-(4-chlorophenyl)-2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]acetamide
CID 9336008

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid?
The IUPAC name of 2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid (CID 43135086) is 2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid is CC(C)c1ccc(C(C)NCC(=O)O)cc1.
What is the InChIKey of 2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid?
The InChIKey is UERGPEKYGSLUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9(2)11-4-6-12(7-5-11)10(3)14-8-13(15)16/h4-7,9-10,14H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid?
2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid has a molecular weight of 221.30 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid is sourced from PubChem (CID 43135086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).