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

C15H21NO4 — CID 65065744

IUPAC2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
SMILESCC(C)c1ccc(C(C)N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-10(2)12-4-6-13(7-5-12)11(3)16(8-14(17)18)9-15(19)20/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyBLANFDXYGXWDFC-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.34
Rot. Bonds7

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

2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid (PubChem CID 65065744) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
PubChem CID65065744
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
SMILESCC(C)c1ccc(C(C)N(CC(=O)O)CC(=O)O)cc1
InChIInChI=1S/C15H21NO4/c1-10(2)12-4-6-13(7-5-12)11(3)16(8-14(17)18)9-15(19)20/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyBLANFDXYGXWDFC-UHFFFAOYSA-N
XLogP2.34
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(dimethylamino)ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 107426146
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
2-[propan-2-yl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65057052
2-[carboxymethyl-[1-(4-cyanophenyl)ethyl]amino]acetic acid
CID 65065694
2-[propan-2-yl-[(4-propan-2-ylphenyl)methyl]amino]acetic acid
CID 39352014
2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
2-[1-(4-chlorophenyl)ethyl-(cyclopropylmethyl)amino]acetic acid
CID 65055047
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
2-[1-(4-methylphenyl)ethyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266261
3-[ethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]-2-methylpropanoic acid
CID 65060726
2-[2-methylpropyl-[1-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 65063760
2-[carboxymethyl(methyl)amino]-2-(4-propan-2-ylphenyl)acetic acid
CID 84748660

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid (CID 65065744) is 2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid is CC(C)c1ccc(C(C)N(CC(=O)O)CC(=O)O)cc1.
What is the InChIKey of 2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
The InChIKey is BLANFDXYGXWDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-10(2)12-4-6-13(7-5-12)11(3)16(8-14(17)18)9-15(19)20/h4-7,10-11H,8-9H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid?
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65065744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).