2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid

C15H22N2O3 — CID 60839780

IUPAC2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
SMILESCCC(C)(C)NC(=O)CN(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-15(2,3)16-13(18)10-17(11-14(19)20)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyHDIHJOZDRSEDMA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.88
Rot. Bonds7

About 2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid

2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid (PubChem CID 60839780) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
PubChem CID60839780
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
SMILESCCC(C)(C)NC(=O)CN(CC(=O)O)c1ccccc1
InChIInChI=1S/C15H22N2O3/c1-4-15(2,3)16-13(18)10-17(11-14(19)20)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyHDIHJOZDRSEDMA-UHFFFAOYSA-N
XLogP1.88
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(1-hydroxybutan-2-yl)anilino]-N-(2-methylbutan-2-yl)acetamide
CID 111543424
2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43442688
2-(N-(2-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 36574960
2-(N-(3-hydroxy-3-methylbutyl)anilino)acetic acid
CID 79354763
N-(2-methylbutan-2-yl)-3,3-diphenylpropanamide
CID 1292106
2-(N-[2-[ethyl(methyl)amino]-2-oxoethyl]anilino)acetic acid
CID 60839603
3-(2-methylbutan-2-ylamino)-3-oxopropanoic acid
CID 62230049
2-[N-(2,3-dichloroprop-2-enyl)anilino]acetic acid
CID 79173270
2-[3-tert-butyl-N-(carboxymethyl)anilino]acetic acid
CID 21131513
2-(N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]anilino)acetic acid
CID 25220023
2-(N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]anilino)acetic acid
CID 25219996
methyl 2-(N-(2-methoxy-2-oxoethyl)anilino)acetate
CID 5323791

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid (CID 60839780) is 2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid is CCC(C)(C)NC(=O)CN(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid?
The InChIKey is HDIHJOZDRSEDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-15(2,3)16-13(18)10-17(11-14(19)20)12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid?
2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid has a molecular weight of 278.35 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid is sourced from PubChem (CID 60839780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).