2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid

C15H23N3O3 — CID 63118704

IUPAC2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid
SMILESCC(C)CNC(=O)C(C)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C15H23N3O3/c1-10(2)8-17-15(21)11(3)18(9-14(19)20)13-7-5-4-6-12(13)16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOIJRWYRJRVDGLN-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.32
Rot. Bonds7

About 2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid

2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid (PubChem CID 63118704) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid
PubChem CID63118704
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid
SMILESCC(C)CNC(=O)C(C)N(CC(=O)O)c1ccccc1N
InChIInChI=1S/C15H23N3O3/c1-10(2)8-17-15(21)11(3)18(9-14(19)20)13-7-5-4-6-12(13)16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyOIJRWYRJRVDGLN-UHFFFAOYSA-N
XLogP1.32
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 63118749
2-(N-[1-(3-methylbutylamino)-1-oxopropan-2-yl]anilino)acetic acid
CID 60839596
2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid
CID 63118737
2-(2-amino-N-[2-(butan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 63118776
2-[butan-2-yl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 54925908
2-(2-amino-N-ethylanilino)-N-cyclopentylpropanamide
CID 62102962
2-[(2-aminophenyl)methyl-ethylamino]-N-(2-methylpropyl)acetamide
CID 43459354
N-benzyl-2-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]propanamide
CID 133148930
N-(2-methylpropyl)-2-[[(1S)-1-phenylethyl]amino]propanamide
CID 63705951
2-[2-(dimethylamino)ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107425496
N-(2-aminophenyl)-N-(2-hydroxyethyl)-4-methylpentanamide
CID 43547827
2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 43458328

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid?
The IUPAC name of 2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid (CID 63118704) is 2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid.
What is the SMILES notation for 2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid?
The canonical SMILES for 2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid is CC(C)CNC(=O)C(C)N(CC(=O)O)c1ccccc1N.
What is the InChIKey of 2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid?
The InChIKey is OIJRWYRJRVDGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(2)8-17-15(21)11(3)18(9-14(19)20)13-7-5-4-6-12(13)16/h4-7,10-11H,8-9,16H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid?
2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]anilino)acetic acid is sourced from PubChem (CID 63118704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).