(2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid

C18H22N2O4 — CID 7422315

IUPAC(2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
SMILESCOCCCN[C@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C18H22N2O4/c1-24-10-4-9-19-16(18(22)23)12-17(21)20-15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16,19H,4,9-10,12H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyNOOVNDBKXLICJG-MRXNPFEDSA-N
MW330.38 g/mol
LogP2.25
Rot. Bonds9

About (2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid

(2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid (PubChem CID 7422315) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
PubChem CID7422315
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
SMILESCOCCCN[C@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C18H22N2O4/c1-24-10-4-9-19-16(18(22)23)12-17(21)20-15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16,19H,4,9-10,12H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1
InChIKeyNOOVNDBKXLICJG-MRXNPFEDSA-N
XLogP2.25
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(butylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7592870
4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid
CID 18886290
(2S)-4-(3-hydroxyanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid
CID 7025341
(2R)-2-(3-methoxypropylamino)-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 7422087
2-(3-methoxypropylamino)-4-oxo-4-(4-phenyldiazenylanilino)butanoic acid
CID 18581017
4-(3-fluoroanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid
CID 18886225
4-(4-bromoanilino)-2-(3-methoxypropylamino)-4-oxobutanoic acid
CID 18581206
(2R)-4-(4-anilinoanilino)-2-(2-methoxyethylamino)-4-oxobutanoic acid
CID 7591377
(2R)-2-(benzylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7592793
(2S)-4-(4-methoxyanilino)-2-[3-(methylamino)propylamino]-4-oxobutanoic acid
CID 7591100
4-(4-methoxyanilino)-4-oxo-2-(pentylamino)butanoic acid
CID 3237028
N-(3-methoxypropyl)-4-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]benzamide
CID 54836423

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid?
The IUPAC name of (2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid (CID 7422315) is (2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid.
What is the SMILES notation for (2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid?
The canonical SMILES for (2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid is COCCCN[C@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid?
The InChIKey is NOOVNDBKXLICJG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-24-10-4-9-19-16(18(22)23)12-17(21)20-15-8-7-13-5-2-3-6-14(13)11-15/h2-3,5-8,11,16,19H,4,9-10,12H2,1H3,(H,20,21)(H,22,23)/t16-/m1/s1.
What are the key properties of (2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid?
(2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid has a molecular weight of 330.38 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid is sourced from PubChem (CID 7422315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).