2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid

C16H24N2O3 — CID 60839596

IUPAC2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid
SMILESCC(C)CCNC(=O)C(C)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(2)9-10-17-16(21)13(3)18(11-15(19)20)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyTUUDMOHMVIVKGP-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.13
Rot. Bonds8

About 2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid

2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid (PubChem CID 60839596) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid
PubChem CID60839596
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid
SMILESCC(C)CCNC(=O)C(C)N(CC(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-12(2)9-10-17-16(21)13(3)18(11-15(19)20)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyTUUDMOHMVIVKGP-UHFFFAOYSA-N
XLogP2.13
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(carboxymethyl)anilino]propanoic acid
CID 66721985
2-[N-(3-methylbutan-2-yl)anilino]acetic acid
CID 65059237
2-(3-amino-N-methylanilino)-N-(3-methylbutyl)propanamide
CID 61295832
2-(4-chloro-N-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]anilino)acetic acid
CID 60833687
2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 63118704
2-[ethyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54900395
N-benzyl-2-methyl-N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]propanamide
CID 133148950
2-[benzyl-(2-phenylacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133148978
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918
2-[N-(dihydroxymethyl)anilino]acetic acid
CID 118193516
2-[cyclopropyl-[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54945162
2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid
CID 60839940

Frequently Asked Questions

What is the IUPAC name of 2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid?
The IUPAC name of 2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid (CID 60839596) is 2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid?
The canonical SMILES for 2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid is CC(C)CCNC(=O)C(C)N(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid?
The InChIKey is TUUDMOHMVIVKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(2)9-10-17-16(21)13(3)18(11-15(19)20)14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid?
2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid has a molecular weight of 292.38 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid is sourced from PubChem (CID 60839596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).