4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid

C17H20N2O3 — CID 18886290

IUPAC4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid
SMILESCCCNC(CC(=O)Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H20N2O3/c1-2-9-18-15(17(21)22)11-16(20)19-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15,18H,2,9,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyQXOBFWCPCAKIKR-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.62
Rot. Bonds7

About 4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid

4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid (PubChem CID 18886290) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid
PubChem CID18886290
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid
SMILESCCCNC(CC(=O)Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H20N2O3/c1-2-9-18-15(17(21)22)11-16(20)19-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15,18H,2,9,11H2,1H3,(H,19,20)(H,21,22)
InChIKeyQXOBFWCPCAKIKR-UHFFFAOYSA-N
XLogP2.62
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(butylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7592870
(2R)-2-(3-methoxypropylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7422315
(2R)-2-(benzylamino)-4-(naphthalen-2-ylamino)-4-oxobutanoic acid
CID 7592793
(2R)-4-(4-acetamidoanilino)-4-oxo-2-(propylamino)butanoic acid
CID 7591351
(2S)-4-(3-fluoroanilino)-4-oxo-2-(propylamino)butanoic acid
CID 7592478
4-hydroxy-N-naphthalen-2-yl-2-(propylamino)butanamide
CID 174896896
4-oxo-4-(4-phenylmethoxyanilino)-2-(propylamino)butanoic acid
CID 66491367
4-(naphthalen-2-ylamino)-4-oxo-2-(pyridin-2-ylmethylamino)butanoic acid
CID 18886284
(2R)-4-(4-anilinoanilino)-4-oxo-2-(pentylamino)butanoic acid
CID 7591405
4-oxo-2-(propylamino)-4-(pyridin-3-ylamino)butanoic acid
CID 6852100
4-(4-anilinoanilino)-2-(hexylamino)-4-oxobutanoic acid
CID 18581013
(2S)-4-(2-bromoanilino)-4-oxo-2-(propylamino)butanoic acid
CID 7592117

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid?
The IUPAC name of 4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid (CID 18886290) is 4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid?
The canonical SMILES for 4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid is CCCNC(CC(=O)Nc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid?
The InChIKey is QXOBFWCPCAKIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-9-18-15(17(21)22)11-16(20)19-14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10,15,18H,2,9,11H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid?
4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-2-ylamino)-4-oxo-2-(propylamino)butanoic acid is sourced from PubChem (CID 18886290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).