2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid

C16H25NO3 — CID 79268616

IUPAC2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid
SMILESCCCOc1ccc(CN(CC(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-5-10-20-14-8-6-13(7-9-14)11-17(12-15(18)19)16(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,19)
InChIKeyOPFMKYBRBNXIEJ-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.16
Rot. Bonds7

About 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid

2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid (PubChem CID 79268616) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid
PubChem CID79268616
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid
SMILESCCCOc1ccc(CN(CC(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C16H25NO3/c1-5-10-20-14-8-6-13(7-9-14)11-17(12-15(18)19)16(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,19)
InChIKeyOPFMKYBRBNXIEJ-UHFFFAOYSA-N
XLogP3.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[tert-butyl-[(4-tert-butylphenyl)methyl]amino]acetic acid
CID 79269645
2-[(4-butoxyphenyl)methyl-propan-2-ylamino]acetic acid
CID 122043977
2-[methyl-(4-propoxybenzoyl)amino]acetic acid
CID 43239761
2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
2-(4-propoxyanilino)acetic acid
CID 15310375
2-(diethylamino)-2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 79053644
2-[2-(4-methylphenoxy)ethyl-propylamino]acetic acid
CID 61007102
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
CID 4939619
2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetic acid
CID 43386105
2-[methyl-[(3-propoxyphenyl)methyl]amino]acetic acid
CID 65056223
3-(diethylamino)-4-(4-propoxyphenyl)butanoic acid
CID 82352352

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid (CID 79268616) is 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid is CCCOc1ccc(CN(CC(=O)O)C(C)(C)C)cc1.
What is the InChIKey of 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid?
The InChIKey is OPFMKYBRBNXIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-10-20-14-8-6-13(7-9-14)11-17(12-15(18)19)16(2,3)4/h6-9H,5,10-12H2,1-4H3,(H,18,19).
What are the key properties of 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid?
2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid has a molecular weight of 279.38 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[(4-propoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 79268616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).