2-[(4-tert-butylbenzoyl)-propylamino]acetic acid

C16H23NO3 — CID 61011522

IUPAC2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-5-10-17(11-14(18)19)15(20)12-6-8-13(9-7-12)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyCZVMKZUXMPXVAK-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.92
Rot. Bonds5

About 2-[(4-tert-butylbenzoyl)-propylamino]acetic acid

2-[(4-tert-butylbenzoyl)-propylamino]acetic acid (PubChem CID 61011522) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)-propylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
PubChem CID61011522
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(4-tert-butylbenzoyl)-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23NO3/c1-5-10-17(11-14(18)19)15(20)12-6-8-13(9-7-12)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,19)
InChIKeyCZVMKZUXMPXVAK-UHFFFAOYSA-N
XLogP2.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[benzoyl(propyl)amino]acetic acid
CID 61011930
2-[propyl-[4-(trifluoromethylsulfanyl)benzoyl]amino]acetic acid
CID 61012642
2-[[4-(methylsulfonylmethyl)benzoyl]-propylamino]acetic acid
CID 61012373
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
2-[[4-(propan-2-yloxymethyl)benzoyl]-propylamino]acetic acid
CID 61013289
2-[(4-chloro-3-fluorobenzoyl)-propylamino]acetic acid
CID 106703257
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631
2-[[4-(butan-2-ylsulfamoyl)benzoyl]-propylamino]acetic acid
CID 119204732
2-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)benzoyl]-propylamino]acetic acid
CID 119205381
2-[2-(4-tert-butylphenyl)ethyl-propylamino]acetic acid
CID 122040131
2-[[3-(dimethylamino)benzoyl]-propylamino]acetic acid
CID 61012479
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylbenzoyl)-propylamino]acetic acid?
The IUPAC name of 2-[(4-tert-butylbenzoyl)-propylamino]acetic acid (CID 61011522) is 2-[(4-tert-butylbenzoyl)-propylamino]acetic acid.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)-propylamino]acetic acid?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)-propylamino]acetic acid?
The InChIKey is CZVMKZUXMPXVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-10-17(11-14(18)19)15(20)12-6-8-13(9-7-12)16(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-[(4-tert-butylbenzoyl)-propylamino]acetic acid?
2-[(4-tert-butylbenzoyl)-propylamino]acetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylbenzoyl)-propylamino]acetic acid is sourced from PubChem (CID 61011522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).